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    CAS 185105-98-0 manufacturers and suppliers on PharmaCompass

    Client Email Product

    BWDNVLPYCMAUGL-UHFFFAOYSA-N

    Manufacturers/Suppliers

    PharmaCompass
    BWDNVLPYCMAUGL-UHFFFAOYSA-N
    Also known as: 185105-98-0, Ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate, 4-thiazolecarboxylic acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-, ethyl ester, Acotiamide related compound 12, Schembl6313414, Ac-36644
    Molecular Formula
    C16H18N2O6S
    Molecular Weight
    366.4  g/mol
    InChI Key
    BWDNVLPYCMAUGL-UHFFFAOYSA-N
    1 2D Structure

    BWDNVLPYCMAUGL-UHFFFAOYSA-N

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-12(22-3)13(23-4)7-11(9)21-2/h6-8H,5H2,1-4H3,(H,17,18,19)
    2.1.3 InChI Key
    BWDNVLPYCMAUGL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2OC)OC)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 185105-98-0

    2. Ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

    3. 4-thiazolecarboxylic Acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-, Ethyl Ester

    4. Acotiamide Related Compound 12

    5. Schembl6313414

    6. Ac-36644

    7. Bs-51340

    8. Db-116516

    9. E85302

    10. A921104

    11. Ethyl2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate

    12. 2-[n-(2,4,5-trimethoxybenzoyl)amino]-4-(ethoxycarbonyl)-1,3-thiazole

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 366.4 g/mol
    Molecular Formula C16H18N2O6S
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass366.08855747 g/mol
    Monoisotopic Mass366.08855747 g/mol
    Topological Polar Surface Area124 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity466
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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