Thiazole

Synopsis, Chemistry

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Also known as: 288-47-1, 1,3-thiazole, Fema no. 3615, 320rcw8pef, Chebi:43732, Thiazol

Molecular Formula

C₃H₃NS

Molecular Weight

85.13 g/mol

InChI Key

FZWLAAWBMGSTSO-UHFFFAOYSA-N

FDA UNII

320RCW8PEF

Heterocyclic compounds where the ring system is composed of three CARBON atoms, a SULFUR and NITROGEN atoms.

1 2D Structure

Thiazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-thiazole

2.1.2 InChI

InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

2.1.3 InChI Key

FZWLAAWBMGSTSO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC=N1

2.2 Other Identifiers

2.2.1 UNII

320RCW8PEF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Thiazoles

2.3.2 Depositor-Supplied Synonyms

1. 288-47-1

2. 1,3-thiazole

3. Fema No. 3615

4. 320rcw8pef

5. Chebi:43732

6. Thiazol

7. Thiazoles

8. Tz

9. Ccris 3205

10. Einecs 206-021-3

11. Unii-320rcw8pef

12. Brn 0103852

13. A Thiazole

14. Racemic Thiazole

15. Thiazole-

16. Thiazole, 99%

17. 5h-1,3-thiazole

18. 1,3-thiazole #

19. Thiazole, >=99%

20. Thiazole [fhfi]

21. Thiazole [mi]

22. 4-27-00-00960 (beilstein Handbook Reference)

23. Chembl15605

24. Dtxsid2059776

25. Fema 3615

26. Amy5749

27. Bcp27450

28. Zinc1484626

29. Bbl027512

30. Mfcd00005315

31. Stl372725

32. Akos005146301

33. Cs-w001237

34. Lom

35. Cb7853436

36. Db-000360

37. Ft-0631899

38. T0185

39. En300-22312

40. 288t471

41. A819630

42. Q413426

43. Q-100366

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₃NS
Molecular Weight	85.13 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	84.99862027 g/mol
Monoisotopic Mass	84.99862027 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.1
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