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2D Structure
Also known as: 20582-55-2, Ethyl 4-methyl-1,3-thiazole-5-carboxylate, 154203-99-3, 5-thiazolecarboxylic acid, 4-methyl-, ethyl ester, 4-methyl-5-thiazolecarboxylic acid ethyl ester, 2-thiopheneacetic acid,3-methyl-, ethyl ester
Molecular Formula
C7H9NO2S
Molecular Weight
171.22  g/mol
InChI Key
WISQBJLUORKXNY-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-methyl-1,3-thiazole-5-carboxylate
2.1.2 InChI
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3
2.1.3 InChI Key
WISQBJLUORKXNY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(N=CS1)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 20582-55-2

2. Ethyl 4-methyl-1,3-thiazole-5-carboxylate

3. 154203-99-3

4. 5-thiazolecarboxylic Acid, 4-methyl-, Ethyl Ester

5. 4-methyl-5-thiazolecarboxylic Acid Ethyl Ester

6. 2-thiopheneacetic Acid,3-methyl-, Ethyl Ester

7. Mfcd00626873

8. 4-methylthiazole-5-carboxylic Acid Ethyl Ester

9. Nsc170824

10. 4-methyl-5-thiazolecarboxylic Acid Ethylester

11. 4-methyl-thiazole-5-carboxylic Acid Ethyl Ester

12. Schembl31575

13. Dtxsid00942774

14. Hms1703d02

15. Zinc368976

16. 4-methyl-5-(ethoxycarbonyl)thiazole

17. Akos000672824

18. 4-methylthiazol-5-carbonsaureathylester

19. Ac-2611

20. Cs-w016028

21. Gc-0751

22. Nsc-170824

23. Sy032681

24. Bb 0263177

25. E1182

26. Ft-0647810

27. Ft-0654711

28. En300-64741

29. Ethyl 4-methyl-1,3-thiazole-5-carboxylate #

30. 5-thiazolecarboxylic Acid,4-methyl-,ethyl Ester

31. 530m461

32. A847130

33. J-521052

34. Thiazole-5-carboxylic Acid, 4-methyl-, Ethyl Ester

35. Z794004628

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 171.22 g/mol
Molecular Formula C7H9NO2S
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass171.03539970 g/mol
Monoisotopic Mass171.03539970 g/mol
Topological Polar Surface Area67.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1