4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide

Formula:C15H12N6O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide is a drug-like molecule.

MolName4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide
MolecularFormulaC15H12N6O2S2
SmilesO=C(c1c(C(N/N=C\c2cccs2)=O)nc[nH]1)N/N=C\c1cccs1
InChIInChI=1S/C15H12N6O2S2/c22-14(20-18-7-10-3-1-5-24-10)12-13(17-9-16-12)15(23)21-19-8-11-4-2-6-25-11/h1-9H,(H,16,17)(H,20,22)(H,21,23)
InChIKWTWPJCXQGQLJCK-UHFFFAOYSA-N
TotalMolweight372.432
Molweight372.432
MonoisotopicMass372.046314
CLogP2.745
CLogS-4.709
H Acceptors8
H Donors3
TotalSurfaceArea280.93
Relative PSA0.49016
PolarSurfaceArea168.08
Druglikeness7.1561
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Aromatic Nitrogens2
StereoCon

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