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Home > Thiazole > 1197834-68-6
1197834-68-6 | 4-(2-propanamido-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CAS No: 1197834-68-6 Catalog No: AG01BU88 MDL No:
Product Description
Catalog Number:
AG01BU88
Chemical Name:
4-(2-propanamido-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CAS Number:
1197834-68-6
Molecular Formula:
C11H12N4O2S
Molecular Weight:
264.3036
IUPAC Name:
4-[2-(propanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C11H12N4O2S/c1-2-9(16)15-11-14-8(5-18-11)6-3-7(10(12)17)13-4-6/h3-5,13H,2H2,1H3,(H2,12,17)(H,14,15,16)
InChI Key:
KQXIMJZPKUSHGM-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1scc(n1)c1c[nH]c(c1)C(=O)N
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.303g/mol
Monoisotopic Mass:
264.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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