CAS 5398-36-7

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Chemistry

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Also known as: 5398-36-7, Ethyl 2-amino-1,3-thiazole-4-carboxylate, Ethyl 2-amino-4-thiazolecarboxylate, 2-amino-thiazole-4-carboxylic acid ethyl ester, 4-thiazolecarboxylic acid, 2-amino-, ethyl ester, Mfcd00619079

Molecular Formula

C₆H₈N₂O₂S

Molecular Weight

172.21 g/mol

InChI Key

XHFUVBWCMLLKOZ-UHFFFAOYSA-N

1 2D Structure

CAS 5398-36-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-amino-1,3-thiazole-4-carboxylate

2.1.2 InChI

InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)

2.1.3 InChI Key

XHFUVBWCMLLKOZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CSC(=N1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5398-36-7

2. Ethyl 2-amino-1,3-thiazole-4-carboxylate

3. Ethyl 2-amino-4-thiazolecarboxylate

4. 2-amino-thiazole-4-carboxylic Acid Ethyl Ester

5. 4-thiazolecarboxylic Acid, 2-amino-, Ethyl Ester

6. Mfcd00619079

7. Ethyl 2-amino-4-thiazoleformate

8. 2-amino-4-ethoxycarbonylthiazole

9. 2-aminothiazole-4-carboxylic Acid Ethyl Ester

10. Nsc4464

11. Ethyl-2-aminothiazole-4-carboxylate

12. Ethyl-2-amino-1,3-thiazole-4-carboxylate

13. 2-aminothiazole-4-ethyl Formate

14. Ethyl-2-aminothiazole-4-carboxylic Acid

15. Nsc 4464

16. Ethyl-2-amino-thiazole-4-carboxylate

17. Nsc 43547

18. Ai3-18592

19. Timtec1_000957

20. Oprea1_347195

21. Oprea1_396207

22. Schembl220846

23. 2-amino-4-thiazolecarboxylic Acid Ethyl Ester

24. Chembl1620353

25. Dtxsid60202285

26. Ethyl 2-aminothiazole-4carboxilate

27. Hms1536l11

28. Ethyl 2-aminothiazol-4-carboxylate

29. Act02337

30. Albb-005840

31. Cfa94230

32. Ethyl-2-amino-4-thiazolecarboxylate

33. Nsc-4464

34. Nsc43547

35. Bbl007566

36. Geo-01316

37. Nsc-43547

38. Stk364430

39. Stl039046

40. Zinc18210877

41. Ethyl 2- Aminothiazole-4-carboxylate

42. Akos000122297

43. Akos005145107

44. Akos015995569

45. Ab06547

46. Ac-1620

47. Cs-w009022

48. Sdccgmls-0065431.p001

49. Sdccgmls-0065431.p002

50. 2-amino-4-ethoxycarbonyl-1,3-thiazole

51. Ncgc00174941-01

52. Ac-28659

53. Sy003333

54. 2-amino-4-(ethoxycarbonyl)-1,3-thiazole

55. Ethyl 2-aminothiazole-4-carboxylate, 96%

56. Db-012649

57. Am20100328

58. Bb 0240308

59. E1215

60. Ft-0625914

61. Ab00375627-06

62. 1x-0716

63. Q-102474

64. Brd-k01651344-001-01-7

65. Z48847558

66. Ethyl 2-imino-2,3-dihydro-1,3-thiazole-4-carboxylate

67. F0060-0149

68. 2-amino-1,3-thiazole-4-carboxylic Acid Ethyl Ester

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₂O₂S
Molecular Weight	172.21 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	172.03064868 g/mol
Monoisotopic Mass	172.03064868 g/mol
Topological Polar Surface Area	93.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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