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    CAS 29676-71-9

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    CAS 29676-71-9
    Also known as: 29676-71-9, 2-(2-aminothiazol-4-yl)acetic acid, 2-aminothiazol-4-acetic acid, (2-aminothiazole-4-yl)acetic acid, 4-thiazoleacetic acid, 2-amino-, 2-(2-amino-1,3-thiazol-4-yl)acetic acid
    Molecular Formula
    C5H6N2O2S
    Molecular Weight
    158.18  g/mol
    InChI Key
    DYCLHZPOADTVKK-UHFFFAOYSA-N
    FDA UNII
    QSH3O4TNJT
    1 2D Structure

    CAS 29676-71-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-amino-1,3-thiazol-4-yl)acetic acid
    2.1.2 InChI
    InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)
    2.1.3 InChI Key
    DYCLHZPOADTVKK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C(S1)N)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    QSH3O4TNJT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

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

    2.3.2 Depositor-Supplied Synonyms

    1. 29676-71-9

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

    3. 2-aminothiazol-4-acetic Acid

    4. (2-aminothiazole-4-yl)acetic Acid

    5. 4-thiazoleacetic Acid, 2-amino-

    6. 2-(2-amino-1,3-thiazol-4-yl)acetic Acid

    7. 2-aminothiazole-4-acetic Acid

    8. (2-amino-1,3-thiazol-4-yl)acetic Acid

    9. (2-amino-4-thiazolyl)acetic Acid

    10. Qsh3o4tnjt

    11. Mfcd00010068

    12. Chembl71460

    13. 2-aminothiazol-4-ylacetic Acid

    14. 2-(2-aminothiazol-4-yl) Acetic Acid

    15. (2-aminothiazole-4-yl)-acetic Acid

    16. Unii-qsh3o4tnjt

    17. Einecs 249-769-6

    18. Ncgc00091091-01

    19. Dsstox_cid_4509

    20. Dsstox_rid_77438

    21. Dsstox_gsid_24509

    22. 2-amino-4-thiazoleaetic Acid

    23. Schembl909845

    24. 2-amino-4-thiazole Acetic Acid

    25. Dtxsid0024509

    26. Schembl11336052

    27. 2-aminothiazol-4-yl-acetic Acid

    28. (2-aminothiazol-4-yl)acetic Acid

    29. Zinc155667

    30. Albb-021297

    31. Amy32274

    32. Bcp12035

    33. 2-(2-aminothiazol-4-yl)aceticacid

    34. Tox21_200900

    35. Bbl008947

    36. Bdbm50525196

    37. Sq-272

    38. Stk711165

    39. (2-amino-thiazol-4-yl)-acetic Acid

    40. 2-(2-aminothiozole-4-yl)acetic Acid

    41. 2-amino-4-thiazoleacetic Acid, 95%

    42. Akos005207187

    43. Ac-5554

    44. Fs-3431

    45. Sb12894

    46. Amino-4-thiazolacetic Acid, 2-

    47. Ncgc00091091-02

    48. Ncgc00258454-01

    49. Bp-10726

    50. Sy019218

    51. Cas-29676-71-9

    52. Db-047623

    53. (2-amino-1,3-thiazol-4-yl)acetic Acid #

    54. 2-(2-amino-4-thiazolyl)acetic Acid

    55. A0954

    56. Cs-0011440

    57. Ft-0611136

    58. 76a719

    59. D72492

    60. W-106980

    61. Ceftibuten Related Impurity 2 (mirabegron Impurity 7)

    62. Q27287479

    63. F2191-0180

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 158.18 g/mol
    Molecular Formula C5H6N2O2S
    XLogP30.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass158.01499861 g/mol
    Monoisotopic Mass158.01499861 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count10
    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 Count1
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