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89776-82-9 | 5-Thiazolecarboxylicacid, 4,5-dihydro-2-methyl-4-oxo-, ethyl ester
CAS No: 89776-82-9 Catalog No: AG00400O MDL No:
Product Description
Catalog Number:
AG00400O
Chemical Name:
5-Thiazolecarboxylicacid, 4,5-dihydro-2-methyl-4-oxo-, ethyl ester
CAS Number:
89776-82-9
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
ethyl 2-methyl-4-oxo-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H9NO3S/c1-3-11-7(10)5-6(9)8-4(2)12-5/h5H,3H2,1-2H3
InChI Key:
VLGRJARYVGZODP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SC(=NC1=O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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