4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

Formula:C21H15N4OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is not a drug-like molecule.

MolName	4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
MolecularFormula	C21H15N4OClS2
Smiles	O=C(c(cc1)ccc1-c1csc(Nc(cc2)ccc2Cl)n1)N/N=C\c1cccs1
InChI	InChI=1S/C21H15ClN4OS2/c22-16-7-9-17(10-8-16)24-21-25-19(13-29-21)14-3-5-15(6-4-14)20(27)26-23-12-18-2-1-11-28-18/h1-13H,(H,24,25)(H,26,27)
InChIK	LSIPJBPMDMKSON-UHFFFAOYSA-N
TotalMolweight	438.962
Molweight	438.962
MonoisotopicMass	438.037578
CLogP	6.5801
CLogS	-7.556
H Acceptors	5
H Donors	2
TotalSurfaceArea	324.03
Relative PSA	0.30602
PolarSurfaceArea	122.86
Druglikeness	6.9719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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