(2Z)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H11N4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2Z)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H11N4BrS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=N/Nc(cc1)ccc1Br
InChI	InChI=1S/C17H11BrN4S/c18-13-6-8-14(9-7-13)21-22-15(10-19)17-20-16(11-23-17)12-4-2-1-3-5-12/h1-9,11,21H
InChIK	JWJMOWFLWOZWDW-UHFFFAOYSA-N
TotalMolweight	383.272
Molweight	383.272
MonoisotopicMass	381.988777
CLogP	5.3299
CLogS	-5.299
H Acceptors	4
H Donors	1
TotalSurfaceArea	262.25
Relative PSA	0.25876
PolarSurfaceArea	89.31
Druglikeness	-2.1699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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