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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

CAS 7113-10-2

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 Formula	C₁₀H₇NO₂S
Molecular Weight	205.23 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	205.01974964 g/mol
Monoisotopic Mass	205.01974964 g/mol
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
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

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