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2D Structure
Also known as: 154212-60-9, 2-isopropyl-4-(n-methyl)amino-methyl thiazole, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine, 4-thiazolemethanamine, n-methyl-2-(1-methylethyl)-, N-methyl-2-isopropyl-4-thiazolemethylamine, 2-isopropyl-4-(n-methylaminomethyl)thiazole
Molecular Formula
C8H14N2S
Molecular Weight
170.28  g/mol
InChI Key
HWSFABGWAXURNG-UHFFFAOYSA-N
FDA UNII
G297848J78

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
2.1.2 InChI
InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
2.1.3 InChI Key
HWSFABGWAXURNG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C1=NC(=CS1)CNC
2.2 Other Identifiers
2.2.1 UNII
G297848J78
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 154212-60-9

2. 2-isopropyl-4-(n-methyl)amino-methyl Thiazole

3. N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine

4. 4-thiazolemethanamine, N-methyl-2-(1-methylethyl)-

5. N-methyl-2-isopropyl-4-thiazolemethylamine

6. 2-isopropyl-4-(n-methylaminomethyl)thiazole

7. Mfcd06797969

8. G297848j78

9. 1-(2-isopropyl-4-thiazolyl)-n-methylmethanamine

10. Methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})amine

11. 2-isopropyl-4-(n-methyl)aminomethylthiazole

12. Unii-g297848j78

13. Ec 414-800-6

14. 1-(2-isopropylthiazol-4-yl)-n-methyl Methanamine

15. Schembl902615

16. Chembl4563202

17. Dtxsid20165569

18. Zinc12383139

19. Akos010300418

20. Am84496

21. Ds-1931

22. Fs-3490

23. Sb17857

24. Sy019475

25. 2-isopropyl-4-(methylaminomethyl) Thiazole

26. Db-021247

27. 2-isopropyl-4-[(methylamino)methyl]thiazole

28. Cs-0021066

29. Ft-0643514

30. 2-isopropyl-4(((n-methyl)amino)methyl)thiazole

31. 2-isopropyl-4-(((n-methyl)amino)-methyl)thiazole

32. 2-isopropyl-4-(((n-methyl)amino)methyl)thiazole

33. 212i609

34. A809508

35. N-methyl-n-((2-isopropyl-4-thiazolyl)methyl)amine

36. Q27278645

37. 1-(2-isopropylthiazol-4-yl)-n-methyl-methanamine;2-isopropyl-4-(methylaminomethyl)thiazole

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 170.28 g/mol
Molecular Formula C8H14N2S
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass170.08776963 g/mol
Monoisotopic Mass170.08776963 g/mol
Topological Polar Surface Area53.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1