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Home > Pyridines > 1422060-42-1
1422060-42-1 | N-(pyridin-4(1H)-ylidene)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS No: 1422060-42-1 Catalog No: AG01DIIU MDL No:
Product Description
Catalog Number:
AG01DIIU
Chemical Name:
N-(pyridin-4(1H)-ylidene)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS Number:
1422060-42-1
Molecular Formula:
C13H14N4OS
Molecular Weight:
274.3415
IUPAC Name:
N-pyridin-4-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
InChI:
InChI=1S/C13H14N4OS/c18-12(16-9-1-5-14-6-2-9)13-17-10-3-7-15-8-4-11(10)19-13/h1-2,5-6,15H,3-4,7-8H2,(H,14,16,18)
InChI Key:
OICMBBRPIYGXBV-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)CCNCC2)N=c1cc[nH]cc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.342g/mol
Monoisotopic Mass:
274.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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