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    2D Structure
    Also known as: Ssr 125543, Ssr125543, Ssr-125543, 752253-39-7, Nbi-74788, Crinecerfont [usan]
    Molecular Formula
    C27H28ClFN2OS
    Molecular Weight
    483.0  g/mol
    InChI Key
    IEAKXXNRGSLYTQ-DEOSSOPVSA-N
    FDA UNII
    MFT24BX55I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
    2.1.2 InChI
    InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
    2.1.3 InChI Key
    IEAKXXNRGSLYTQ-DEOSSOPVSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C(CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F
    2.1.5 Isomeric SMILES
    CC1=C(C=C(C=C1)[C@H](CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F
    2.2 Other Identifiers
    2.2.1 UNII
    MFT24BX55I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(2-chloro-4-methoxy-5-methylphenyl)-n-((1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine

    2. Nbi 74788

    3. Nbi-74788

    2.3.2 Depositor-Supplied Synonyms

    1. Ssr 125543

    2. Ssr125543

    3. Ssr-125543

    4. 752253-39-7

    5. Nbi-74788

    6. Crinecerfont [usan]

    7. 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine

    8. Mft24bx55i

    9. 06-rori

    10. Chembl291657

    11. Chebi:34969

    12. Ssr125543a

    13. 752253-39-7 (free Base)

    14. Chembl1628268

    15. (s)-4-(2-chloro-4-methoxy-5-methylphenyl)-n-(2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-n-(prop-2-yn-1-yl)thiazol-2-amine

    16. Sr-125543a

    17. Crinecerfont [inn]

    18. Unii-mft24bx55i

    19. Gtpl3533

    20. Schembl5453205

    21. Dtxsid10996687

    22. Ssr-125543a

    23. Zinc1550164

    24. Bdbm50144192

    25. Bdbm50348828

    26. Pdsp1_000883

    27. Pdsp2_000869

    28. Who 10958

    29. Ncgc00386642-01

    30. Hy-106203

    31. Cs-0025238

    32. Q27088874

    33. [4-(4-bromo-phenyl)-5,6-dimethyl-pyrimidin-2-yl]-dicyclopropylmethyl-propyl-amine

    34. 2-thiazolamine, 4-(2-chloro-4-methoxy-5-methylphenyl)-n-((1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-n-2-propynyl-

    35. 2-thiazolamine, 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-2-propyn-1-yl

    36. 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-(prop-2-yn-1-yl)-1,3-thiazol-2-amine

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 483.0 g/mol
    Molecular Formula C27H28ClFN2OS
    XLogP38
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass482.1594906 g/mol
    Monoisotopic Mass482.1594906 g/mol
    Topological Polar Surface Area53.6 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity699
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of atypical haemolytic uremic syndrome, Treatment of paroxysmal nocturnal haemoglobinuria

    Treatment of congenital adrenal hyperplasia