CAS 302964-08-5

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Also known as: 302964-08-5, 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide, Mfcd11045075, 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

Molecular Formula

C₁₆H₁₃Cl₂N₅OS

Molecular Weight

394.3 g/mol

InChI Key

LMXUWARKUIELGT-UHFFFAOYSA-N

1 2D Structure

CAS 302964-08-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

2.1.2 InChI

InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)

2.1.3 InChI Key

LMXUWARKUIELGT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 302964-08-5

2. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

3. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

4. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

5. Mfcd11045075

6. 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

7. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]thiazole-5-carboxamide

8. 5-thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-

9. Ec 695-686-7

10. Schembl1146860

11. Dtxsid20460723

12. Bcp10594

13. Zinc22054724

14. Akos015888619

15. Ac-8511

16. Cs-w019750

17. Sb55490

18. 2-[(6-chloro-2-methyl-4-pyrimidyl)amino]-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

19. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

20. As-13682

21. Sy039789

22. Am20090636

23. C3675

24. Ft-0655050

25. 964c085

26. Q-101347

27. 2-((6-chloro-2-methylpyrimidin-4-yl) Amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

28. 2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carbox Amide

29. 2-(6-chloro-2-methylpyrimidin-4-ylamino)- N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

30. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methyl Phenyl)thiazole-5-carboxamide

31. 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide;2-((6-chloro-2-methylpyrimidin-4-yl)amino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

32. N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-1,3-thiazole-5-carboxamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₃Cl₂N₅OS
Molecular Weight	394.3 g/mol
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	393.0217866 g/mol
Monoisotopic Mass	393.0217866 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	474
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