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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 2161380-87-4, 5-bromo-4-(4-chlorothiophen-2-yl)thiazol-2-amine (avatrombopag impurity), Schembl19966961, Amy40538, Cs-0377234, F83912
    Molecular Formula
    C7H4BrClN2S2
    Molecular Weight
    295.6  g/mol
    InChI Key
    NDDIDWDEBBDFIE-UHFFFAOYSA-N
    CAS 2161380-87-4
    1 2D Structure

    CAS 2161380-87-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine
    2.1.2 InChI
    InChI=1S/C7H4BrClN2S2/c8-6-5(11-7(10)13-6)4-1-3(9)2-12-4/h1-2H,(H2,10,11)
    2.1.3 InChI Key
    NDDIDWDEBBDFIE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(SC=C1Cl)C2=C(SC(=N2)N)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2161380-87-4

    2. 5-bromo-4-(4-chlorothiophen-2-yl)thiazol-2-amine (avatrombopag Impurity)

    3. Schembl19966961

    4. Amy40538

    5. Cs-0377234

    6. F83912

    2.3 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 295.6 g/mol
    Molecular Formula C7H4BrClN2S2
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area95.4
    Heavy Atom Count13
    Formal Charge0
    Complexity197
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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