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89208-06-0 | Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-methyl-3-oxo-
CAS No: 89208-06-0 Catalog No: AG00464B MDL No:
Product Description
Catalog Number:
AG00464B
Chemical Name:
Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-methyl-3-oxo-
CAS Number:
89208-06-0
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
IUPAC Name:
N-methyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
InChI:
InChI=1S/C8H7N3O2S/c1-9-8(13)11-7(12)5-3-2-4-10-6(5)14-11/h2-4H,1H3,(H,9,13)
InChI Key:
BNNAMHHWNCWMNY-UHFFFAOYSA-N
SMILES:
CNC(=O)n1sc2c(c1=O)cccn2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.223g/mol
Monoisotopic Mass:
209.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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