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ACTIVE PHARMA INGREDIENTS

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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

2-Isopropyl-4-Methylaminomethyl-Thiazole

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 Formula	C₈H₁₄N₂S
Molecular Weight	170.28 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.08776963 g/mol
Monoisotopic Mass	170.08776963 g/mol
Topological Polar Surface Area	53.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	117
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