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100377-67-1 | Pentanoic acid, 5-oxo-5-(2-thiazolylamino)-
CAS No: 100377-67-1 Catalog No: AG0001TB MDL No:MFCD00030450
Product Description
Catalog Number:
AG0001TB
Chemical Name:
Pentanoic acid, 5-oxo-5-(2-thiazolylamino)-
CAS Number:
100377-67-1
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
MDL Number:
MFCD00030450
IUPAC Name:
5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
InChI:
InChI=1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11)
InChI Key:
KIGCPAJFAFXJHS-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccs1)CCCC(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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