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    CAS 160844-75-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 160844-75-7, Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate, Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, 5-thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
    Molecular Formula
    C18H20N2O3S
    Molecular Weight
    344.4  g/mol
    InChI Key
    OGAZOYHQFBSRMC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3
    2.1.3 InChI Key
    OGAZOYHQFBSRMC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C#N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 160844-75-7

    2. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

    3. Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

    4. Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

    5. 5-thiazolecarboxylic Acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, Ethyl Ester

    6. 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

    7. 5-thiazolecarboxylic Acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, Ethyl Ester

    8. Febuxostat Impurity 3

    9. Febuxostat Ethyl Ester

    10. Ec 927-913-5

    11. Schembl31601

    12. Dtxsid901144416

    13. Act06266

    14. Bcp23118

    15. Mfcd09833701

    16. Zinc22011862

    17. Akos005145711

    18. Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate

    19. Ac-5911

    20. Ds-13004

    21. Db-037992

    22. Am20090759

    23. Cs-0151841

    24. E1414

    25. Ft-0653024

    26. A24932

    27. 844e757

    28. A851007

    29. Q-103511

    30. Ethyl 2-(3-cyano-4-isobutoxy Phenyl)-4-methylthiazole-5-carboxylate

    31. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5- Thiazolecarboxylate

    32. Ethyl 2-[3-cyano-4-(2-methyl Propoxy)phenyl]-4-methyl-5-thiazolcarboxylate

    33. Ethyl-2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazole Carboxylate

    34. 2-(3-cyano-4-isobutoxy-phenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

    35. 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester

    36. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester

    37. Febuxostat Ethyl Ester (2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester)

    38. Febuxostat Ethyl Ester (2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 344.4 g/mol
    Molecular Formula C18H20N2O3S
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass344.11946368 g/mol
    Monoisotopic Mass344.11946368 g/mol
    Topological Polar Surface Area100 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity476
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1