2-Aminothiazole

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  • Identifiers

    CAS number
    96-50-4

    Molecular formula
    C3H4N2S

    SMILES
    C1=CSC(=N1)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 65.62%
    Sulfurous 59.69%
    Nutty 55.43%
    Roasted 49.54%
    Vegetable 47.88%
    Fishy 39.41%
    Beefy 37.84%
    Burnt 36.69%
    Green 35.89%
    Cooked 31.76%

     

    Flavor
    Nutty 60.11%
    Roasted 50.13%
    Coffee 38.84%
    Vegetable 36.71%
    Sulfur 36.53%
    Bitter 35.2%
    Meaty 32.94%
    Sulfury 32.12%
    Chocolate 30.92%
    Cocoa 30.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    5.5 (weak acid)

    Molecular weight
    100.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 194 °F (NTP, 1992)

    Boiling point

    • Decomposes (NTP, 1992)

    Flash point

    • 89.97 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • 2-AMINOTHIAZOLE
    • aminothiazole
    • 96-50-4
    • 2-Thiazolamine
    • Abadole
    • 2-Thiazolylamine
    • Abadol
    • Basedol
    • 2-Thiazylamine
    • 4-Thiazolin-2-onimine
    • Aminothiazol
    • Aminotiazol
    • Thiazole, 2-amino-
    • Aminothiazolum
    • USAF EK-P-5501
    • RP 2921
    • Aminotiazolo
    • NSC-1900
    • 5K8WKN668K
    • DTXSID5024508
    • RP-2921
    • DTXCID604508
    • RefChem:557583
    • 202-511-6
    • thiazol-2-amine
    • 1,3-Thiazol-2-amine
    • Thiazolamine
    • 2-Amino-1,3-thiazole
    • 2-Aminothiazol
    • Aminothiazole [INN]
    • 2-amino thiazole
    • MFCD00005325
    • Thiazol-2-ylamine
    • NSC 1900
    • CHEMBL344760
    • NSC1900
    • Aminothiazole (INN)
    • 29385-37-3
    • NCGC00091162-02
    • 1,3-thiazole-2-ylamine
    • Aminotiazolo [DCIT]
    • Aminothiazol [INN-French]
    • Aminotiazol [INN-Spanish]
    • CAS-96-50-4
    • Aminothiazolum [INN-Latin]
    • AMINOTHIAZOLINE
    • CCRIS 1279
    • EINECS 202-511-6
    • CP 1585
    • UNII-5K8WKN668K
    • amino thiazol
    • thiazole amine
    • thiazolyl amine
    • 2-iminothiazole
    • AI3-14917
    • 2-amino thiozol
    • 2-Amino-thiazol
    • 2-amino-thiazole
    • thiazole-2-amine
    • N-(2-Methylbenzoyl)glycine-d2; NSC 163983-d2; o-Methylhippuric Acid-d2; o-Toluric Acid-d2;
    • thiazol-2-yl-amine
    • amino-1,3-thiazole
    • 361381-86-4
    • 2-AMINOTHIOZOLE
    • Spectrum_000085
    • 1,3-thiazole-2-amine
    • 2-amino-1,3 thiazole
    • 2-Aminothiazole, 97%
    • THIAZOLE,2-AMINO
    • 1,3-thiazol-2-ylamine
    • Spectrum2_000879
    • Spectrum3_001737
    • Spectrum4_000734
    • Spectrum5_000973
    • WLN: T5N CSJ BZ
    • SCHEMBL7401
    • 1,3-Thiazol-2-amine #
    • SCHEMBL76270
    • BSPBio_003414
    • KBioGR_001028
    • KBioSS_000505
    • 2-AMINOTHIAZOLE [MI]
    • DivK1c_000176
    • SCHEMBL319423
    • SCHEMBL388343
    • SCHEMBL564596
    • SCHEMBL989551
    • SPECTRUM1503017
    • SPBio_000957
    • orb1310557
    • SCHEMBL6253892
    • SCHEMBL9763468
    • SCHEMBL10428703
    • SCHEMBL11693591
    • CHEBI:40782
    • HMS500I18
    • KBio1_000176
    • KBio2_000505
    • KBio2_003073
    • KBio2_005641
    • KBio3_002634
    • NINDS_000176
    • HMS1922A05
    • HMS3652B11
    • Pharmakon1600-01503017
    • BB_SC-10668
    • STR00409
    • Tox21_111093
    • Tox21_200726
    • 2-imino-2,3-dihydro-1,3-thiazole
    • AC7847
    • BDBM50240843
    • CCG-40298
    • EBC-03028
    • NSC758210
    • s4198
    • SBB028135
    • STK387115
    • AKOS000119189
    • CS-3404
    • FA06181
    • NSC-758210
    • PS-9323
    • IDI1_000176
    • NCGC00091162-01
    • NCGC00091162-03
    • NCGC00091162-04
    • 96-50-4

  • Applications

    2-Aminothiazole (CAS 96-50-4) is primarily used as a building block in organic synthesis, enabling access to thiazole-containing derivatives. In the pharmaceutical sector, it serves as a key intermediate for the preparation of heterocyclic drug candidates. In the agrochemical sector, it is utilized as a precursor for compounds in pesticides and fungicides. It also functions as a precursor for dyes and pigment-forming compounds used in specialty coatings and inks. In research and development, it is commonly employed to assemble libraries of thiazole derivatives. Additionally, it may be used as a corrosion-inhibitor component in specialty coatings and metal-protection formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.76
    methanol 574.29
    isopropanol 92.88
    water 191.95
    ethyl acetate 44.99
    n-propanol 109.71
    acetone 103.93
    n-butanol 93.68
    acetonitrile 74.06
    DMF 787.62
    toluene 10.61
    isobutanol 63.13
    1,4-dioxane 78.85
    methyl acetate 72.53
    THF 173.03
    2-butanone 66.07
    n-pentanol 54.59
    sec-butanol 62.13
    n-hexane 0.71
    ethylene glycol 108.45
    NMP 380.46
    cyclohexane 1.2
    DMSO 209.26
    n-butyl acetate 22.84
    n-octanol 17.2
    chloroform 66.47
    n-propyl acetate 24.74
    acetic acid 234.73
    dichloromethane 41.84
    cyclohexanone 73.07
    propylene glycol 100.05
    isopropyl acetate 24.65
    DMAc 498.26
    2-ethoxyethanol 137.51
    isopentanol 55.08
    n-heptane 1.8
    ethyl formate 110.12
    1,2-dichloroethane 20.5
    n-hexanol 30.88
    2-methoxyethanol 331.07
    isobutyl acetate 14.51
    tetrachloromethane 16.97
    n-pentyl acetate 29.2
    transcutol 107.85
    n-heptanol 31.15
    ethylbenzene 3.37
    MIBK 28.87
    2-propoxyethanol 97.1
    tert-butanol 64.27
    MTBE 28.07
    2-butoxyethanol 85.4
    propionic acid 118.02
    o-xylene 8.76
    formic acid 450.43
    diethyl ether 26.39
    m-xylene 8.4
    p-xylene 5.71
    chlorobenzene 17.62
    dimethyl carbonate 73.1
    n-octane 0.87
    formamide 529.15
    cyclopentanone 145.19
    2-pentanone 52.82
    anisole 25.84
    cyclopentyl methyl ether 45.76
    gamma-butyrolactone 183.39
    1-methoxy-2-propanol 181.61
    pyridine 89.61
    3-pentanone 30.6
    furfural 204.34
    n-dodecane 0.67
    diethylene glycol 96.92
    diisopropyl ether 5.51
    tert-amyl alcohol 50.92
    acetylacetone 53.89
    n-hexadecane 0.72
    acetophenone 33.26
    methyl propionate 64.43
    isopentyl acetate 17.79
    trichloroethylene 64.09
    n-nonanol 16.31
    cyclohexanol 35.02
    benzyl alcohol 42.4
    2-ethylhexanol 14.22
    isooctanol 21.02
    dipropyl ether 13.7
    1,2-dichlorobenzene 17.11
    ethyl lactate 30.58
    propylene carbonate 84.78
    n-methylformamide 499.48
    2-pentanol 39.38
    n-pentane 1.61
    1-propoxy-2-propanol 58.81
    1-methoxy-2-propyl acetate 35.92
    2-(2-methoxypropoxy) propanol 38.93
    mesitylene 4.7
    ε-caprolactone 69.83
    p-cymene 5.08
    epichlorohydrin 113.41
    1,1,1-trichloroethane 23.26
    2-aminoethanol 183.13
    morpholine-4-carbaldehyde 234.19
    sulfolane 148.65
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 66.08
    n-hexyl acetate 22.97
    isooctane 0.76
    2-(2-butoxyethoxy)ethanol 57.59
    sec-butyl acetate 13.81
    tert-butyl acetate 23.82
    decalin 0.67
    glycerin 178.66
    diglyme 112.61
    acrylic acid 136.25
    isopropyl myristate 8.39
    n-butyric acid 138.59
    acetyl acetate 31.22
    di(2-ethylhexyl) phthalate 15.17
    ethyl propionate 19.78
    nitromethane 319.02
    1,2-diethoxyethane 26.72
    benzonitrile 40.01
    trioctyl phosphate 11.35
    1-bromopropane 9.44
    gamma-valerolactone 210.85
    n-decanol 11.19
    triethyl phosphate 11.86
    4-methyl-2-pentanol 20.63
    propionitrile 57.95
    vinylene carbonate 95.47
    1,1,2-trichlorotrifluoroethane 159.49
    DMS 19.99
    cumene 3.19
    2-octanol 15.6
    2-hexanone 25.72
    octyl acetate 14.59
    limonene 6.88
    1,2-dimethoxyethane 127.61
    ethyl orthosilicate 11.52
    tributyl phosphate 10.41
    diacetone alcohol 54.04
    N,N-dimethylaniline 23.16
    acrylonitrile 97.8
    aniline 50.32
    1,3-propanediol 171.21
    bromobenzene 10.45
    dibromomethane 18.78
    1,1,2,2-tetrachloroethane 50.93
    2-methyl-cyclohexyl acetate 14.66
    tetrabutyl urea 18.06
    diisobutyl methanol 7.87
    2-phenylethanol 32.77
    styrene 5.15
    dioctyl adipate 13.4
    dimethyl sulfate 100.48
    ethyl butyrate 18.05
    methyl lactate 87.56
    butyl lactate 32.94
    diethyl carbonate 13.06
    propanediol butyl ether 58.24
    triethyl orthoformate 16.87
    p-tert-butyltoluene 5.35
    methyl 4-tert-butylbenzoate 35.77
    morpholine 130.69
    tert-butylamine 28.07
    n-dodecanol 7.87
    dimethoxymethane 211.12
    ethylene carbonate 70.27
    cyrene 54.09
    2-ethoxyethyl acetate 39.85
    2-ethylhexyl acetate 13.72
    1,2,4-trichlorobenzene 24.93
    4-methylpyridine 83.84
    dibutyl ether 8.91
    2,6-dimethyl-4-heptanol 7.87
    DEF 111.68
    dimethyl isosorbide 55.04
    tetrachloroethylene 43.59
    eugenol 47.13
    triacetin 26.44
    span 80 35.43
    1,4-butanediol 70.88
    1,1-dichloroethane 24.66
    2-methyl-1-pentanol 34.02
    methyl formate 289.97
    2-methyl-1-butanol 55.47
    n-decane 1.05
    butyronitrile 61.03
    3,7-dimethyl-1-octanol 12.4
    1-chlorooctane 4.17
    1-chlorotetradecane 1.84
    n-nonane 0.92
    undecane 0.8
    tert-butylcyclohexane 0.75
    cyclooctane 0.61
    cyclopentanol 69.37
    tetrahydropyran 45.66
    tert-amyl methyl ether 22.54
    2,5,8-trioxanonane 71.19
    1-hexene 3.28
    2-isopropoxyethanol 61.91
    2,2,2-trifluoroethanol 158.02
    methyl butyrate 36.96

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction