CAS 302964-02-9

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2 End Use APIs
21 Related Intermediates

Chemistry

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Also known as: 302964-02-9, 2-n-boc-amino-thiazole-5-carboxylic acid, 2-boc-aminothiazole-5-carboxylic acid, 2-(tert-butoxycarbonylamino)thiazole-5-carboxylic acid, 2-n-boc-aminothiazole-5-carboxylic acid, 2-(boc-amino)thiazole-5-carboxylic acid

Molecular Formula

C₉H₁₂N₂O₄S

Molecular Weight

244.27 g/mol

InChI Key

QNFLEDLPOVONCN-UHFFFAOYSA-N

1 2D Structure

CAS 302964-02-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid

2.1.2 InChI

InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-4-5(16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)

2.1.3 InChI Key

QNFLEDLPOVONCN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 302964-02-9

2. 2-n-boc-amino-thiazole-5-carboxylic Acid

3. 2-boc-aminothiazole-5-carboxylic Acid

4. 2-(tert-butoxycarbonylamino)thiazole-5-carboxylic Acid

5. 2-n-boc-aminothiazole-5-carboxylic Acid

6. 2-(boc-amino)thiazole-5-carboxylic Acid

7. 2-(n-boc)-aminothiazole-5-carboxylic Acid

8. 2-((tert-butoxycarbonyl)amino)thiazole-5-carboxylic Acid

9. 5-thiazolecarboxylic Acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

10. Mfcd06796614

11. 2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-5-carboxylic Acid

12. 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic Acid

13. 2-tert-butoxycarbonylamino-thiazole-5-carboxylic Acid

14. Schembl951493

15. Dtxsid40624128

16. Qnfledlpovoncn-uhfffaoysa-n

17. 2-boc-aminothiazole-5-carboxylicacid

18. Bbl101020

19. Stl554814

20. Akos005073075

21. Ab29494

22. Cs-w003341

23. Hc-0747

24. Sy006797

25. Am20090414

26. B4552

27. Ft-0646107

28. En300-128916

29. 2-tert-butoxycarbonylaminothiazole-5-carboxylic Acid

30. Q-102479

31. 2-n-boc-amino-thiazole-5-carboxylic Acid, Aldrichcpr

32. Z1505691107

33. 2-amino-1,3-thiazole-5-carboxylic Acid, N-boc Protected

34. 2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-5-carboxylic Acid

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₂O₄S
Molecular Weight	244.27 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	117
Heavy Atom Count	16
Formal Charge	0
Complexity	290
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