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    CAS 302964-08-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 302964-08-5, 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide, Mfcd11045075, 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
    Molecular Formula
    C16H13Cl2N5OS
    Molecular Weight
    394.3  g/mol
    InChI Key
    LMXUWARKUIELGT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
    2.1.2 InChI
    InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)
    2.1.3 InChI Key
    LMXUWARKUIELGT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 302964-08-5

    2. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    3. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    4. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

    5. Mfcd11045075

    6. 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    7. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]thiazole-5-carboxamide

    8. 5-thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-

    9. Ec 695-686-7

    10. Schembl1146860

    11. Dtxsid20460723

    12. Bcp10594

    13. Zinc22054724

    14. Akos015888619

    15. Ac-8511

    16. Cs-w019750

    17. Sb55490

    18. 2-[(6-chloro-2-methyl-4-pyrimidyl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    19. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

    20. As-13682

    21. Sy039789

    22. Am20090636

    23. C3675

    24. Ft-0655050

    25. 964c085

    26. Q-101347

    27. 2-((6-chloro-2-methylpyrimidin-4-yl) Amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    28. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carbox Amide

    29. 2-(6-chloro-2-methylpyrimidin-4-ylamino)- N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    30. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methyl Phenyl)thiazole-5-carboxamide

    31. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide;2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

    32. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-1,3-thiazole-5-carboxamide

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 394.3 g/mol
    Molecular Formula C16H13Cl2N5OS
    XLogP35
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass393.0217866 g/mol
    Monoisotopic Mass393.0217866 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity474
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1