(Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

Formula:C23H19N4ClS Mutagenic:low Tumorigenic:none Reproductive Effective:none (Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.

MolName(Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
MolecularFormulaC23H19N4ClS
SmilesClc1cc(C(N2/N=C\c3ncccc3)=CS/C2=N\CCc2ccccc2)ccc1
InChIInChI=1S/C23H19ClN4S/c24-20-10-6-9-19(15-20)22-17-29-23(26-14-12-18-7-2-1-3-8-18)28(22)27-16-21-11-4-5-13-25-21/h1-11,13,15-17H,12,14H2
InChIKPPJTZDLFRCLUSP-UHFFFAOYSA-N
TotalMolweight418.951
Molweight418.951
MonoisotopicMass418.101893
CLogP5.5573
CLogS-5.872
H Acceptors4
TotalSurfaceArea321.21
Relative PSA0.17132
PolarSurfaceArea66.15
Druglikeness4.7225
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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