(E)-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

Formula:C22H22N2OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C22H22N2OS2
Smiles	O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChI	InChI=1S/C22H22N2OS2/c25-21(13-12-19-7-4-14-26-19)24-22-23-20(15-27-22)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h4,7-16H,1-3,5-6H2,(H,23,24,25)
InChIK	MFQAUUWJLMETHQ-UHFFFAOYSA-N
TotalMolweight	394.562
Molweight	394.562
MonoisotopicMass	394.117353
CLogP	6.5152
CLogS	-6.786
H Acceptors	3
H Donors	1
TotalSurfaceArea	306.93
Relative PSA	0.24823
PolarSurfaceArea	98.47
Druglikeness	-2.0319
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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