4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Formula:C14H9N3Cl2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

MolName4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
MolecularFormulaC14H9N3Cl2S2
SmilesClc(cc1)cc(Cl)c1-c1csc(N/N=C\c2cccs2)n1
InChIInChI=1S/C14H9Cl2N3S2/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)
InChIKQYWXPZMVCMRXOL-UHFFFAOYSA-N
TotalMolweight354.284
Molweight354.284
MonoisotopicMass352.961491
CLogP7.295
CLogS-6.142
H Acceptors3
H Donors1
TotalSurfaceArea250.48
Relative PSA0.29807
PolarSurfaceArea93.76
Druglikeness5.2842
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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