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Home > Pyridines > 863763-95-5
863763-95-5 | 3,7-DIMETHYL-5-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBONITRILE
CAS No: 863763-95-5 Catalog No: AG00GUGK MDL No:MFCD07339281
Product Description
Catalog Number:
AG00GUGK
Chemical Name:
3,7-DIMETHYL-5-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBONITRILE
CAS Number:
863763-95-5
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD07339281
IUPAC Name:
3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C10H8N2OS/c1-6-3-9(13)12-7(2)5-14-10(12)8(6)4-11/h3,5H,1-2H3
InChI Key:
YQLHSTADBBGTBK-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(=O)n2c1scc2C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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