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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

302964-02-9
1 2D Structure

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 Weight 244.27 g/mol
Molecular Formula C9H12N2O4S
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area117
Heavy Atom Count16
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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