(2E)-N-(2,5-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H10N4Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (2E)-N-(2,5-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-N-(2,5-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H10N4Cl2S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=N\Nc(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C17H10Cl2N4S/c18-12-6-7-13(19)14(8-12)22-23-15(9-20)17-21-16(10-24-17)11-4-2-1-3-5-11/h1-8,10,22H
InChIK	BYRKPKKGRSNWTF-UHFFFAOYSA-N
TotalMolweight	373.266
Molweight	373.266
MonoisotopicMass	372.00032
CLogP	5.8167
CLogS	-5.937
H Acceptors	4
H Donors	1
TotalSurfaceArea	274.46
Relative PSA	0.24725
PolarSurfaceArea	89.31
Druglikeness	-0.35901
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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