CAS 106092-09-5

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Also known as: 106092-09-5, (s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (6s)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, (s)-n-despropyl pramipexole, Pramipexole related compound a

Molecular Formula

C₇H₁₁N₃S

Molecular Weight

169.25 g/mol

InChI Key

DRRYZHHKWSHHFT-BYPYZUCNSA-N

FDA UNII

J4N3Y41JML

1 2D Structure

CAS 106092-09-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

2.1.2 InChI

InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)/t4-/m0/s1

2.1.3 InChI Key

DRRYZHHKWSHHFT-BYPYZUCNSA-N

2.1.4 Canonical SMILES

C1CC2=C(CC1N)SC(=N2)N

2.1.5 Isomeric SMILES

C1CC2=C(C[C@H]1N)SC(=N2)N

2.2 Other Identifiers

2.2.1 UNII

J4N3Y41JML

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 106092-09-5

2. (s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

3. (6s)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

4. (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine

5. (s)-n-despropyl Pramipexole

6. Pramipexole Related Compound A

7. (s)-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine

8. (6s)-4,5,6,7-tetrahydro-1,3-benzothiazol-2,6-diamine

9. S-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

10. 2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (s)-

11. (s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

12. J4n3y41jml

13. 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (6s)-

14. (s)-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine

15. 2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (-)-

16. 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (s)-

17. (-)-(6s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

18. Unii-j4n3y41jml

19. Mfcd07368003

20. Pramipexole Related Compound A [usp]

21. Pramipexole Related Compound A Rs [usp]

22. Pramipexole Intermediates

23. Ec 600-715-3

24. Schembl306889

25. ( Inverted Exclamation Marka)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

26. Chembl1192854

27. Dtxsid00893656

28. Act07187

29. Pramipexole Dihydrochloride Monohydrate Specified Impurity A [ep]

30. Zinc12650535

31. Akos005258071

32. Ac-1609

33. Cs-w003372

34. 112gi015

35. Ds-10467

36. D4337

37. Pramipexole Related Compound A [usp-rs]

38. S-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

39. 4,5,6,7-tetrahydrobenzothiazole-2,6alpha-diamine

40. 617t494

41. (6s)2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

42. (s)-2,6-diamino-4,5,6,7-tetrahvdro Benzothiazole

43. (s)-2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

44. (6s)-2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

45. Pramipexole Related Compound A [usp Impurity]

46. Q27281199

47. (-)-(6s)-2,6-diamino-4,5,6-tetrahydrobenzothiazole

48. (s)-(?)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

49. (6s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

50. (s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, 97%

51. (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, Aldrichcpr

52. (-)-(6s)-2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

53. Pramipexole Dihydrochloride Monohydrate Impurity A [ep Impurity]

54. Pramipexole Related Compound A, United States Pharmacopeia (usp) Reference Standard

55. (s)-4,5,6,7-tetrahydrobenzo Thiazole-2,6-diamine (pramipexole Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material

56. (s)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine;(s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁N₃S
Molecular Weight	169.25 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	169.06736854 g/mol
Monoisotopic Mass	169.06736854 g/mol
Topological Polar Surface Area	93.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1