CAS 20582-55-2

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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

CAS 20582-55-2

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 Formula	C₇H₉NO₂S
Molecular Weight	171.22 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	171.03539970 g/mol
Monoisotopic Mass	171.03539970 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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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