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CAS 160844-75-7
PharmaCompass
CAS 160844-75-7
Also known as: 160844-75-7, Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, Ak-39088, Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, Q-103511
Molecular Formula
C18H20N2O3S
Molecular Weight
344.429  g/mol
InChI Key
OGAZOYHQFBSRMC-UHFFFAOYSA-N

1 2D Structure

CAS 160844-75-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
2.1.2 InChI
InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3
2.1.3 InChI Key
OGAZOYHQFBSRMC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C#N)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 160844-75-7

2. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

3. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

4. Ak-39088

5. Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

6. Q-103511

7. C18h20n2o3s

8. 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

9. Febuxostat Impurity 3

10. Schembl31601

11. Ksc498e4p

12. Ctk3j8247

13. Molport-005-942-446

14. Act06266

15. Ks-00000hz8

16. Anw-45560

17. Ce-697

18. Mfcd09833701

19. Sbb066594

20. Zinc22011862

21. Akos005145711

22. Ac-5911

23. An-6796

24. Qc-6294

25. Rp17954

26. Rtx-012355

27. 5-thiazolecarboxylic Acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, Ethyl Ester

28. Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

29. Ethyl2- -4-methylthiazole-5-carboxylate

30. Aj-80491

31. Cj-17252

32. Ds-13004

33. He063492

34. Kb-50750

35. Ab0005321

36. Ax8162502

37. Db-037992

38. Am20090759

39. Ft-0653024

40. St24030454

41. W3489

42. 844e757

43. I09-1305

44. Ethyl 2-(3-cyano-4-isobutoxy Phenyl)-4-methylthiazole-5-carboxylate

45. Ethyl 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylate

46. Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5- Thiazolecarboxylate

47. Ethyl 2-[3-cyano-4-(2-methyl Propoxy)phenyl]-4-methyl-5-thiazolcarboxylate

48. Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate

49. Ethyl-2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazole Carboxylate

50. 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic Acid Ethyl Ester

51. 2-(3-cyano-4-isobutoxy-phenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

52. Ethyl 2-(3-cyano-4-isobutoxy Phenyl)-4-methyl Thiazole-5 Carboxylate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 344.429 g/mol
Molecular Formula C18H20N2O3S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass344.119 g/mol
Monoisotopic Mass344.119 g/mol
Topological Polar Surface Area100 A^2
Heavy Atom Count24
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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