CAS 720720-96-7

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Chemistry

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Also known as: 720720-96-7, 4,5,6,7-tetrahydro-5-methyl-thiazolo[5,4-c]pyridine-2-carboxylic acid hcl, 5-methyl-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride, Mfcd25542379, 5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride, 4,5,6,7-tetrahydro-5-methyl-thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride

Molecular Formula

C₈H₁₁ClN₂O₂S

Molecular Weight

234.70 g/mol

InChI Key

ZWIYEBIMFPQYDI-UHFFFAOYSA-N

1 2D Structure

CAS 720720-96-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C8H10N2O2S.ClH/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);1H

2.1.3 InChI Key

ZWIYEBIMFPQYDI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 720720-96-7

2. 4,5,6,7-tetrahydro-5-methyl-thiazolo[5,4-c]pyridine-2-carboxylic Acid Hcl

3. 5-methyl-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride

4. Mfcd25542379

5. 5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic Acid;hydrochloride

6. 4,5,6,7-tetrahydro-5-methyl-thiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride

7. Schembl209036

8. Dtxsid40456966

9. Amy12276

10. Bcp14308

11. Cs-m3401

12. Akos024262565

13. Ds-9377

14. Sb13388

15. 4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride

16. 5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic Acid,hydrochloride

17. Ac-33549

18. Da-22011

19. Sy097950

20. Ft-0698892

21. M2819

22. 4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridine-2-carboxylic Acid Hcl

23. 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic Acid Hcl

24. 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-carboxylic Acid Hydrochloride

25. 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride

26. 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride

27. 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylicacidhydrochloride

28. Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride

29. 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic Acid--hydrogen Chloride (1/1)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁ClN₂O₂S
Molecular Weight	234.70 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	234.0229765 g/mol
Monoisotopic Mass	234.0229765 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
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