CAS 29676-71-9

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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

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 Formula	C₅H₆N₂O₂S
Molecular Weight	158.18 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	158.01499861 g/mol
Monoisotopic Mass	158.01499861 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1