1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

2.1.2 InChI

InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)

2.1.3 InChI Key

VVOXTERFTAJMAA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

VG8Y584N6R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 302964-24-5

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

3. 5-thiazolecarboxamide, 2-amino-n-(2-chloro-6-methylphenyl)-

4. Vg8y584n6r

5. Mfcd10000630

6. 2-amino-n-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide

7. 2-amino-n-(2-chloro-6-methylphenyl)thiazole -5-carboxamide

8. Dasatinib Impurity 2

9. Unii-vg8y584n6r

10. Amot0082

11. Schembl1540030

12. Dtxsid80619972

13. Bcp10605

14. Zinc33359010

15. Akos015897308

16. Ac-8512

17. As-17462

18. Sy039790

19. Am20090635

20. Cs-0020987

21. Ft-0652278

22. F14963

23. 964a245

24. Q-101346

25. 2-amino-n-(2-chloro-6-methylphenyl) Thiazole-5-carboxamide

26. 2-amino-n-(2-chloro-6-methyl Phenyl)-5-thiazole Carboxamide

27. 2-amino-n-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀ClN₃OS
Molecular Weight	267.74 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	267.0233108 g/mol
Monoisotopic Mass	267.0233108 g/mol
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	292
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

CAS 302964-24-5

CAS 302964-24-5

CHEMISTRY

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