CAS 1185167-55-8

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1 End Use APIs
7 Related Intermediates

Chemistry

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Also known as: 1185167-55-8, [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylamine 2hcl, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;dihydrochloride, 1-(2-isopropyl-1,3-thiazol-4-yl)-n-methylmethanamine dihydrochloride, 2-isopropyl-4-(methylaminomethyl)thiazole dihydrochloride, 2-isopropyl-4(((n-methyl) amino)methyl)thiazole 2hcl

Molecular Formula

C₈H₁₆Cl₂N₂S

Molecular Weight

243.20 g/mol

InChI Key

GNPOLJYMEXUGCG-UHFFFAOYSA-N

1 2D Structure

CAS 1185167-55-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C8H14N2S.2ClH/c1-6(2)8-10-7(4-9-3)5-11-8;;/h5-6,9H,4H2,1-3H3;2*1H

2.1.3 InChI Key

GNPOLJYMEXUGCG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=NC(=CS1)CNC.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1185167-55-8

2. [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylamine 2hcl

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

4. 1-(2-isopropyl-1,3-thiazol-4-yl)-n-methylmethanamine Dihydrochloride

5. 2-isopropyl-4-(methylaminomethyl)thiazole Dihydrochloride

6. 2-isopropyl-4(((n-methyl) Amino)methyl)thiazole 2hcl

7. N-methyl-2-(1-methylethyl)-4-thiazolemethanamine Dihydrochloride

8. Ec 937-695-3

9. Schembl16798712

10. 2-isopropyl-4-(n-methylaminomethyl)thiazole Dihydrochloride

11. Bcp11238

12. Cs-d1758

13. 1-(2-isopropyl-1,3-thiazol-4-yl)-n-methylmethanamine Dihydrochlor Ide

14. Mfcd11841218

15. Akos016002769

16. Sb17858

17. Ac-26810

18. As-18961

19. Da-14944

20. Ft-0707520

21. I1057

22. 1-(2-isopropylthiazol-4-yl-n-methylmethanamine

23. A893133

24. N-methyl-2-(1-methylethyl)-4-thiazolemethanamine 2hcl

25. 1-(2-isopropylthiazol-4-yl)-n-methylmethanaminedihydrochloride

26. 1-[2-(1-methylethyl)thiazol-4-yl]-n-methylmethanamine Dihydrochloride

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

28. 1-(2-isopropyl-1,3-thiazol-4-yl)-n-methylmethanamine Dihydrochloride Aldrichcpr

29. 1-(2-isopropyl-1,3-thiazol-4-yl)-n-methylmethanamine Dihydrochloride, Aldrichcpr

2.3 Create Date

2010-06-21

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆Cl₂N₂S
Molecular Weight	243.20 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	242.0411251 g/mol
Monoisotopic Mass	242.0411251 g/mol
Topological Polar Surface Area	53.2 Å²
Heavy Atom Count	13
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	3