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1353966-13-8 | N-(5-methyl-1,3-thiazol-2-yl)isoquinoline-1-carboxamide
CAS No: 1353966-13-8 Catalog No: AG00HU35 MDL No:MFCD21098952
Product Description
Catalog Number:
AG00HU35
Chemical Name:
N-(5-methyl-1,3-thiazol-2-yl)isoquinoline-1-carboxamide
CAS Number:
1353966-13-8
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD21098952
IUPAC Name:
N-(5-methyl-1,3-thiazol-2-yl)isoquinoline-1-carboxamide
InChI:
InChI=1S/C14H11N3OS/c1-9-8-16-14(19-9)17-13(18)12-11-5-3-2-4-10(11)6-7-15-12/h2-8H,1H3,(H,16,17,18)
InChI Key:
HJKUMIZHZLYEOA-UHFFFAOYSA-N
SMILES:
Cc1cnc(s1)NC(=O)c1nccc2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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