(E)-3-phenyl-N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide

Formula:C25H19N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-phenyl-N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
MolecularFormula	C25H19N3OS2
Smiles	O=C(/C=C/c1ccccc1)NC(Nc1nc(-c(cc2)ccc2-c2ccccc2)cs1)=S
InChI	InChI=1S/C25H19N3OS2/c29-23(16-11-18-7-3-1-4-8-18)27-24(30)28-25-26-22(17-31-25)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h1-17H,(H2,26,27,28,29,30)
InChIK	LNUFEJDKCFZLNZ-UHFFFAOYSA-N
TotalMolweight	441.578
Molweight	441.578
MonoisotopicMass	441.096952
CLogP	6.3534
CLogS	-7.64
H Acceptors	4
H Donors	2
TotalSurfaceArea	347.12
Relative PSA	0.27452
PolarSurfaceArea	114.35
Druglikeness	1.2125
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; thio-amide/urea
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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