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2D Structure
Also known as: 108-33-8, 5-methyl-1,3,4-thiadiazol-2-amine, 2-amino-5-methylthiadiazole, 1,3,4-thiadiazol-2-amine, 5-methyl-, Usaf cy-3, 5-methyl-[1,3,4]thiadiazol-2-ylamine
Molecular Formula
C3H5N3S
Molecular Weight
115.16  g/mol
InChI Key
HMPUHXCGUHDVBI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methyl-1,3,4-thiadiazol-2-amine
2.1.2 InChI
InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
2.1.3 InChI Key
HMPUHXCGUHDVBI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NN=C(S1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 108-33-8

2. 5-methyl-1,3,4-thiadiazol-2-amine

3. 2-amino-5-methylthiadiazole

4. 1,3,4-thiadiazol-2-amine, 5-methyl-

5. Usaf Cy-3

6. 5-methyl-[1,3,4]thiadiazol-2-ylamine

7. 1,3,4-thiadiazole, 2-amino-5-methyl-

8. 5-methyl-1,3,4-thiadiazol-2-ylamine

9. 5-methyl-1,3,4-thiadiazole-2-amine

10. Mfcd00003110

11. 1,4-thiadiazol-2-amine, 5-methyl-

12. Chembl1288960

13. 5-amino-2-methyl-1,3,4-thiadiazole

14. Matd

15. Wln: T5nn Dsj C1 E1

16. 2-amino-5-methyl-1,4-thiadiazole

17. 1,4-thiadiazole, 2-amino-5-methyl-

18. Einecs 203-573-7

19. 2-methyl-5-amino-1,3,4-thiadiazole

20. Nsc 137228

21. Ai3-61163

22. Amino-5-methyl-1,3,4-thiadiazole

23. Mls001049227

24. Schembl282505

25. Unii-nc799929em

26. Schembl21228555

27. Hmpuhxcguhdvbi-uhfffaoysa-

28. Amy3777

29. Dtxsid70148347

30. Hms2787m24

31. Nc799929em

32. Amino-5-methyl 1,3,4-thiadiazole

33. Zinc8615005

34. Bdbm50331847

35. Nsc137228

36. Nsc526661

37. Stk016821

38. 5-methyl-2-amino-1,3,4-thiadiazole

39. Akos000100063

40. Nsc-137228

41. Nsc-526661

42. Ps-4597

43. 2-amino-5- Methyl-1,3,4-thiadiazole

44. 5-methyl-2 -amino-1,3,4-thiadiazole

45. 5-methyl-2-amino-1,3,4 -thiadiazole

46. Ncgc00246452-01

47. Smr000427775

48. Sy004265

49. Db-020477

50. A0874

51. Bb 0217150

52. Cs-0076370

53. Ft-0620585

54. 2-amino-5-methyl-1,3,4-thiadiazole, 97%

55. F13849

56. 108a338

57. W-108723

58. Z56900928

59. F1423-2916

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 115.16 g/mol
Molecular Formula C3H5N3S
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass115.02041835 g/mol
Monoisotopic Mass115.02041835 g/mol
Topological Polar Surface Area80 Ų
Heavy Atom Count7
Formal Charge0
Complexity67.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1