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1355942-78-7 | N-methyl-6-oxo-2-[(E)-2-[2-(thiophen-3-yl)-1,3-thiazol-4-yl]ethenyl]-1,6-dihydropyrimidine-5-carboxamide
CAS No: 1355942-78-7 Catalog No: AG01EM6Y MDL No:
Product Description
Catalog Number:
AG01EM6Y
Chemical Name:
N-methyl-6-oxo-2-[(E)-2-[2-(thiophen-3-yl)-1,3-thiazol-4-yl]ethenyl]-1,6-dihydropyrimidine-5-carboxamide
CAS Number:
1355942-78-7
Molecular Formula:
C15H12N4O2S2
Molecular Weight:
344.4114
IUPAC Name:
N-methyl-6-oxo-2-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethenyl]-1H-pyrimidine-5-carboxamide
InChI:
InChI=1S/C15H12N4O2S2/c1-16-13(20)11-6-17-12(19-14(11)21)3-2-10-8-23-15(18-10)9-4-5-22-7-9/h2-8H,1H3,(H,16,20)(H,17,19,21)
InChI Key:
FAJFNCIBJSNVSP-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cnc([nH]c1=O)/C=C/c1csc(n1)c1cscc1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.04g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.407g/mol
Monoisotopic Mass:
344.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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