(1E)-N-(4-chloroanilino)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide

Formula:C17H10N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (1E)-N-(4-chloroanilino)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide is a drug-like molecule.

MolName	(1E)-N-(4-chloroanilino)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide
MolecularFormula	C17H10N5OClS
Smiles	N#C/C(/C(c1csc(-c2cnccc2)n1)=O)=N\Nc(cc1)ccc1Cl
InChI	InChI=1S/C17H10ClN5OS/c18-12-3-5-13(6-4-12)22-23-14(8-19)16(24)15-10-25-17(21-15)11-2-1-7-20-9-11/h1-7,9-10,22H
InChIK	NQRNRARIUWYERG-UHFFFAOYSA-N
TotalMolweight	367.819
Molweight	367.819
MonoisotopicMass	367.029457
CLogP	3.74
CLogS	-3.871
H Acceptors	6
H Donors	1
TotalSurfaceArea	275.55
Relative PSA	0.33341
PolarSurfaceArea	119.27
Druglikeness	0.74604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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