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    CAS 66659-20-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 66659-20-9, 2-(2-aminothiazol-4-yl) acetic acid hydrochloride, 2-amino-4-thiazoleacetic acid hydrochloride, 2-(2-aminothiazol-4-yl)acetic acid hcl, 2-(2-aminothiazol-4-yl) acetic acid, hcl, 2-(2-amino-4-thiazolyl)acetic acid hydrochloride
    Molecular Formula
    C5H7ClN2O2S
    Molecular Weight
    194.64  g/mol
    InChI Key
    ZEWJJZKVQOMYKJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H
    2.1.3 InChI Key
    ZEWJJZKVQOMYKJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C(S1)N)CC(=O)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 66659-20-9

    2. 2-(2-aminothiazol-4-yl) Acetic Acid Hydrochloride

    3. 2-amino-4-thiazoleacetic Acid Hydrochloride

    4. 2-(2-aminothiazol-4-yl)acetic Acid Hcl

    5. 2-(2-aminothiazol-4-yl) Acetic Acid, Hcl

    6. 2-(2-amino-4-thiazolyl)acetic Acid Hydrochloride

    7. 4-thiazoleacetic Acid, 2-amino-, Monohydrochloride

    8. Mfcd06658943

    9. 2-(2-amino-1,3-thiazol-4-yl)acetic Acid;hydrochloride

    10. Schembl9694699

    11. 2-(2-aminothiazol-4-yl) Acetic Acid,hydrochloride

    12. Dtxsid00515306

    13. Bcp11963

    14. T1a994

    15. Akos015900472

    16. Ac-5558

    17. 2-(2-amino-4-thiazolyl)acetic Acid Hcl

    18. As-14392

    19. Sy026556

    20. Db-019383

    21. 2-aminothiazol-4-ylacetic Acid Hydrochloride

    22. Cs-0042604

    23. Ft-0641086

    24. 2-(2-aminothiazol-4-yl)aceticacidhydrochloride

    25. A835511

    26. J-505523

    27. 2-(2-aminothiazol-4-yl) Acetic Acid, Hydrochloride

    28. 2-(2-amino-1,3-thiazol-4-yl)acetic Acid Hydrochloride

    29. Z2692095061

    30. 2-(2-azanyl-1,3-thiazol-4-yl)ethanoic Acid Hydrochloride

    31. (2-amino-1,3-thiazol-4-yl)acetic Acid--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 194.64 g/mol
    Molecular Formula C5H7ClN2O2S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass193.9916763 g/mol
    Monoisotopic Mass193.9916763 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2