(E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile

Formula:C21H16N3OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
MolecularFormula	C21H16N3OF3S
Smiles	CCOc(cc1)ccc1-c1csc(/C(/C#N)=C/Nc2cc(C(F)(F)F)ccc2)n1
InChI	InChI=1S/C21H16F3N3OS/c1-2-28-18-8-6-14(7-9-18)19-13-29-20(27-19)15(11-25)12-26-17-5-3-4-16(10-17)21(22,23)24/h3-10,12-13,26H,2H2,1H3
InChIK	VCYAOCXCWBGJLL-UHFFFAOYSA-N
TotalMolweight	415.438
Molweight	415.438
MonoisotopicMass	415.096616
CLogP	4.2682
CLogS	-5.479
H Acceptors	4
H Donors	1
TotalSurfaceArea	310.84
Relative PSA	0.21345
PolarSurfaceArea	86.18
Druglikeness	-10.401
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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