2-Amino-4-methylthiazole

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  • Identifiers

    CAS number
    1603-91-4

    Molecular formula
    C4H6N2S

    SMILES
    CC1=CSC(=N1)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 73.95%
    Roasted 62.37%
    Sulfurous 61.35%
    Nutty 57.68%
    Vegetable 42.43%
    Beefy 40.12%
    Cocoa 38.57%
    Coffee 38.4%
    Burnt 38.02%
    Savory 37.02%

     

    Flavor
    Nutty 58.01%
    Roasted 55.31%
    Coffee 43.75%
    Cocoa 41.59%
    Vegetable 36.22%
    Roast 35.3%
    Meaty 33.87%
    Chocolate 33.35%
    Hazelnut 31.33%
    Sulfury 29.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.25 (weak acid)

    Molecular weight
    114.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 95.48 ˚C est.

    Solubility expt.

    • 10.8 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • 2-Amino-4-methylthiazole
    • 1603-91-4
    • 2-Thiazolamine, 4-methyl-
    • 4-Methyl-1,3-thiazol-2-amine
    • aminomethiazole
    • 4-METHYL-2-THIAZOLAMINE
    • Normotiroide
    • 2-amino-4-methyl-1,3-thiazole
    • Nomortiroide
    • 4-Methyl-2-thiazolylamine
    • 4-Methylthiazol-2-ylamine
    • EINECS 216-505-6
    • NSC-40462
    • AI3-61054
    • R95713542R
    • DTXSID40166856
    • NSC 40462
    • 2-AMINO-4-METHYLTHIAZOLE [MI]
    • RefChem:464352
    • DTXCID6089347
    • 4-methylthiazol-2-amine
    • MFCD00005329
    • 2-Amino-4-methylthiazol
    • Thiazole, 2-amino-4-methyl-
    • 4-Methyl-2-aminothiazole
    • 4-methyl-thiazol-2-ylamine
    • 2-AMINO-4-METHYL THIAZOLE
    • MLS000069416
    • CHEMBL505019
    • SMR000059048
    • F2190-0489
    • 4-methyl-1,3-thiazole-2-ylamine
    • UNII-R95713542R
    • amino-4-methylthiazole
    • 2-amino4-methylthiazole
    • Opera_ID_1655
    • 2-amino4-methyl-thiazole
    • 4-methyl-thiazol-2-amine
    • 2-Amino-4-methyl-thiazole
    • SCHEMBL48592
    • 24T
    • SCHEMBL319393
    • SCHEMBL1904802
    • SCHEMBL2642355
    • SCHEMBL4125010
    • (4-methyl-thiazol-2-yl)-amine
    • 2-Amino-4-methylthiazole, 98%
    • 4-methyl-1,3-thiazol-2-ylamine
    • HMS2235K17
    • HMS3371K22
    • SMSSF-0439209
    • ALBB-017777
    • NSC40462
    • BDBM50271467
    • SBB004307
    • STK301253
    • AKOS000119526
    • AB00403
    • CS-W009130
    • PS-5953
    • NCGC00247014-01
    • BP-20145
    • ST034128
    • SY005920
    • DB-001215
    • A1303
    • NS00025221
    • EN300-16075
    • A18260
    • 603A914
    • F023295
    • Q27287992
    • Z48847548
    • InChI=1/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6
    • 1603-91-4

  • Applications

    2-Amino-4-methylthiazole is a versatile organic building block used in chemical synthesis. In pharmaceutical and medicinal chemistry, it acts as a heterocyclic scaffold and a starting material for the preparation of thiazole-containing compounds with potential biological activity. In agrochemical development, it is evaluated as an intermediate for the synthesis of pesticide actives and related compounds. In research and development, it provides a flexible scaffold for diversification of heterocyclic libraries. Additionally, the amino group enables further functionalization and may serve as a coordinating ligand in catalytic or materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 230.08
    methanol 351.26
    isopropanol 125.25
    water 91.16
    ethyl acetate 128.92
    n-propanol 139.2
    acetone 263.79
    n-butanol 100.46
    acetonitrile 145.08
    DMF 453.23
    toluene 30.52
    isobutanol 78.15
    1,4-dioxane 200.41
    methyl acetate 137.95
    THF 355.72
    2-butanone 136.46
    n-pentanol 63.13
    sec-butanol 86.62
    n-hexane 2.48
    ethylene glycol 126.73
    NMP 334.73
    cyclohexane 2.73
    DMSO 338.9
    n-butyl acetate 41.59
    n-octanol 31.75
    chloroform 91.76
    n-propyl acetate 42.52
    acetic acid 265.63
    dichloromethane 78.12
    cyclohexanone 131.44
    propylene glycol 118.68
    isopropyl acetate 62.68
    DMAc 339.05
    2-ethoxyethanol 158.1
    isopentanol 62.0
    n-heptane 3.93
    ethyl formate 101.91
    1,2-dichloroethane 49.5
    n-hexanol 53.72
    2-methoxyethanol 340.02
    isobutyl acetate 28.38
    tetrachloromethane 21.4
    n-pentyl acetate 42.38
    transcutol 195.55
    n-heptanol 36.74
    ethylbenzene 6.21
    MIBK 55.11
    2-propoxyethanol 157.12
    tert-butanol 98.79
    MTBE 58.04
    2-butoxyethanol 99.47
    propionic acid 135.51
    o-xylene 18.75
    formic acid 257.29
    diethyl ether 87.04
    m-xylene 21.87
    p-xylene 10.67
    chlorobenzene 39.36
    dimethyl carbonate 92.3
    n-octane 1.81
    formamide 298.85
    cyclopentanone 219.0
    2-pentanone 109.78
    anisole 43.52
    cyclopentyl methyl ether 111.81
    gamma-butyrolactone 245.03
    1-methoxy-2-propanol 212.29
    pyridine 112.96
    3-pentanone 74.44
    furfural 220.87
    n-dodecane 1.94
    diethylene glycol 166.69
    diisopropyl ether 18.9
    tert-amyl alcohol 70.28
    acetylacetone 146.1
    n-hexadecane 2.18
    acetophenone 43.75
    methyl propionate 119.61
    isopentyl acetate 35.79
    trichloroethylene 95.59
    n-nonanol 29.44
    cyclohexanol 59.22
    benzyl alcohol 45.49
    2-ethylhexanol 26.57
    isooctanol 26.59
    dipropyl ether 33.79
    1,2-dichlorobenzene 31.81
    ethyl lactate 38.81
    propylene carbonate 115.5
    n-methylformamide 239.46
    2-pentanol 57.71
    n-pentane 4.28
    1-propoxy-2-propanol 85.38
    1-methoxy-2-propyl acetate 72.75
    2-(2-methoxypropoxy) propanol 71.14
    mesitylene 12.84
    ε-caprolactone 107.27
    p-cymene 10.64
    epichlorohydrin 193.0
    1,1,1-trichloroethane 57.0
    2-aminoethanol 163.03
    morpholine-4-carbaldehyde 266.04
    sulfolane 228.29
    2,2,4-trimethylpentane 2.82
    2-methyltetrahydrofuran 166.04
    n-hexyl acetate 49.27
    isooctane 2.19
    2-(2-butoxyethoxy)ethanol 97.53
    sec-butyl acetate 28.29
    tert-butyl acetate 59.36
    decalin 2.16
    glycerin 203.61
    diglyme 157.24
    acrylic acid 135.75
    isopropyl myristate 22.5
    n-butyric acid 134.34
    acetyl acetate 82.61
    di(2-ethylhexyl) phthalate 28.53
    ethyl propionate 42.25
    nitromethane 409.85
    1,2-diethoxyethane 62.82
    benzonitrile 48.12
    trioctyl phosphate 21.82
    1-bromopropane 29.08
    gamma-valerolactone 272.87
    n-decanol 22.09
    triethyl phosphate 23.09
    4-methyl-2-pentanol 30.37
    propionitrile 77.15
    vinylene carbonate 107.03
    1,1,2-trichlorotrifluoroethane 161.18
    DMS 49.49
    cumene 6.76
    2-octanol 23.67
    2-hexanone 48.72
    octyl acetate 31.35
    limonene 16.82
    1,2-dimethoxyethane 165.79
    ethyl orthosilicate 22.46
    tributyl phosphate 22.63
    diacetone alcohol 87.74
    N,N-dimethylaniline 29.96
    acrylonitrile 92.96
    aniline 75.17
    1,3-propanediol 175.49
    bromobenzene 28.16
    dibromomethane 43.44
    1,1,2,2-tetrachloroethane 73.6
    2-methyl-cyclohexyl acetate 30.6
    tetrabutyl urea 31.01
    diisobutyl methanol 15.76
    2-phenylethanol 46.87
    styrene 9.1
    dioctyl adipate 31.89
    dimethyl sulfate 135.96
    ethyl butyrate 32.76
    methyl lactate 97.16
    butyl lactate 40.66
    diethyl carbonate 25.19
    propanediol butyl ether 75.28
    triethyl orthoformate 29.36
    p-tert-butyltoluene 11.42
    methyl 4-tert-butylbenzoate 56.96
    morpholine 209.47
    tert-butylamine 47.58
    n-dodecanol 16.96
    dimethoxymethane 239.32
    ethylene carbonate 88.62
    cyrene 78.71
    2-ethoxyethyl acetate 72.24
    2-ethylhexyl acetate 29.0
    1,2,4-trichlorobenzene 46.9
    4-methylpyridine 107.34
    dibutyl ether 23.97
    2,6-dimethyl-4-heptanol 15.76
    DEF 121.98
    dimethyl isosorbide 103.43
    tetrachloroethylene 52.37
    eugenol 63.74
    triacetin 58.83
    span 80 62.76
    1,4-butanediol 69.77
    1,1-dichloroethane 60.9
    2-methyl-1-pentanol 44.76
    methyl formate 190.49
    2-methyl-1-butanol 63.2
    n-decane 2.93
    butyronitrile 69.88
    3,7-dimethyl-1-octanol 25.67
    1-chlorooctane 12.8
    1-chlorotetradecane 6.4
    n-nonane 2.55
    undecane 2.33
    tert-butylcyclohexane 2.42
    cyclooctane 1.39
    cyclopentanol 101.17
    tetrahydropyran 115.38
    tert-amyl methyl ether 47.07
    2,5,8-trioxanonane 118.86
    1-hexene 10.08
    2-isopropoxyethanol 87.33
    2,2,2-trifluoroethanol 150.54
    methyl butyrate 50.01

    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