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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

CAS 29676-71-9
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

BUILDING BLOCK

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