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23576-80-9 | 3(2H)-Thiazoleacetic acid, 2-imino-
CAS No: 23576-80-9 Catalog No: AG002NQH MDL No:MFCD00187813
Product Description
Catalog Number:
AG002NQH
Chemical Name:
3(2H)-Thiazoleacetic acid, 2-imino-
CAS Number:
23576-80-9
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD00187813
IUPAC Name:
2-(2-imino-1,3-thiazol-3-yl)acetic acid
InChI:
InChI=1S/C5H6N2O2S/c6-5-7(1-2-10-5)3-4(8)9/h1-2,6H,3H2,(H,8,9)
InChI Key:
UGZFQKKKGOPZMG-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccsc1=N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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