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2D Structure
Also known as: 2-phenylthiazole-4-carboxylic acid, 7113-10-2, 2-phenyl-4-carboxythiazole, 4-thiazolecarboxylic acid, 2-phenyl-, Mls000773831, 2-phenyl-thiazole-4-carboxylic acid
Molecular Formula
C10H7NO2S
Molecular Weight
205.23  g/mol
InChI Key
IBUSLNJQKLZPNR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-phenyl-1,3-thiazole-4-carboxylic acid
2.1.2 InChI
InChI=1S/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
2.1.3 InChI Key
IBUSLNJQKLZPNR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-phenylthiazole-4-carboxylic Acid

2. 7113-10-2

3. 2-phenyl-4-carboxythiazole

4. 4-thiazolecarboxylic Acid, 2-phenyl-

5. Mls000773831

6. 2-phenyl-thiazole-4-carboxylic Acid

7. Smr000364704

8. Sdccgmls-0066001.p001

9. 4-carboxy-2-phenylthiazole

10. Oprea1_695170

11. Schembl352152

12. Cid_138928

13. Chembl1406848

14. Bdbm63710

15. Dtxsid60221330

16. 2-phenylthiazole-4-carboxylicacid

17. Hms1732m09

18. Hms2748i03

19. Zinc158872

20. Bcp27264

21. Mfcd00141954

22. Stl352653

23. Vt1249

24. Akos001121372

25. Ab03809

26. Cs-w003986

27. Phenyl-1,3-thiazole-4-carboxylic Acid

28. Ncgc00246130-01

29. 12f-317s

30. 2-phenyl-1.3-thiazole-4-carboxylic Acid

31. Ac-28029

32. Bp-10667

33. 2-phenyl-4-thiazolecarboxylic Acid

34. Db-025925

35. Am20041062

36. Ft-0660542

37. A19576

38. J-510274

39. 2-phenyl-1,3-thiazole-4-carboxylic Acid, Aldrichcpr

40. Z56756826

41. F2147-0618

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 205.23 g/mol
Molecular Formula C10H7NO2S
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass205.01974964 g/mol
Monoisotopic Mass205.01974964 g/mol
Topological Polar Surface Area78.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1