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833491-50-2 | 1H-Imidazole-1-carboxamide, N-(6-methyl-2-benzothiazolyl)-
CAS No: 833491-50-2 Catalog No: AG00555Z MDL No:
Product Description
Catalog Number:
AG00555Z
Chemical Name:
1H-Imidazole-1-carboxamide, N-(6-methyl-2-benzothiazolyl)-
CAS Number:
833491-50-2
Molecular Formula:
C12H10N4OS
Molecular Weight:
258.2990
IUPAC Name:
N-(6-methyl-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
InChI:
InChI=1S/C12H10N4OS/c1-8-2-3-9-10(6-8)18-11(14-9)15-12(17)16-5-4-13-7-16/h2-7H,1H3,(H,14,15,17)
InChI Key:
DUFFAGTXYMJYRT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)NC(=O)n1cncc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.299g/mol
Monoisotopic Mass:
258.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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