CAS 66659-20-9

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8 End Use APIs
63 Related Intermediates

Chemistry

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Also known as: 66659-20-9, 2-(2-aminothiazol-4-yl) acetic acid hydrochloride, 2-amino-4-thiazoleacetic acid hydrochloride, 2-(2-aminothiazol-4-yl)acetic acid hcl, 2-(2-aminothiazol-4-yl) acetic acid, hcl, 2-(2-amino-4-thiazolyl)acetic acid hydrochloride

Molecular Formula

C₅H₇ClN₂O₂S

Molecular Weight

194.64 g/mol

InChI Key

ZEWJJZKVQOMYKJ-UHFFFAOYSA-N

1 2D Structure

CAS 66659-20-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride

2.1.2 InChI

InChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H

2.1.3 InChI Key

ZEWJJZKVQOMYKJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(S1)N)CC(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 66659-20-9

2. 2-(2-aminothiazol-4-yl) Acetic Acid Hydrochloride

3. 2-amino-4-thiazoleacetic Acid Hydrochloride

4. 2-(2-aminothiazol-4-yl)acetic Acid Hcl

5. 2-(2-aminothiazol-4-yl) Acetic Acid, Hcl

6. 2-(2-amino-4-thiazolyl)acetic Acid Hydrochloride

7. 4-thiazoleacetic Acid, 2-amino-, Monohydrochloride

8. Mfcd06658943

9. 2-(2-amino-1,3-thiazol-4-yl)acetic Acid;hydrochloride

10. Schembl9694699

11. 2-(2-aminothiazol-4-yl) Acetic Acid,hydrochloride

12. Dtxsid00515306

13. Bcp11963

14. T1a994

15. Akos015900472

16. Ac-5558

17. 2-(2-amino-4-thiazolyl)acetic Acid Hcl

18. As-14392

19. Sy026556

20. Db-019383

21. 2-aminothiazol-4-ylacetic Acid Hydrochloride

22. Cs-0042604

23. Ft-0641086

24. 2-(2-aminothiazol-4-yl)aceticacidhydrochloride

25. A835511

26. J-505523

27. 2-(2-aminothiazol-4-yl) Acetic Acid, Hydrochloride

28. 2-(2-amino-1,3-thiazol-4-yl)acetic Acid Hydrochloride

29. Z2692095061

30. 2-(2-azanyl-1,3-thiazol-4-yl)ethanoic Acid Hydrochloride

31. (2-amino-1,3-thiazol-4-yl)acetic Acid--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₇ClN₂O₂S
Molecular Weight	194.64 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	193.9916763 g/mol
Monoisotopic Mass	193.9916763 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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	2