(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide

Formula:C25H15N3O2F4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C25H15N3O2F4S
Smiles	N#C/C(/C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2)s1)=O)=C\c1ccc(-c(cccc2)c2F)o1
InChI	InChI=1S/C25H15F4N3O2S/c26-21-7-2-1-6-20(21)22-9-8-18(34-22)12-16(13-30)23(33)32-24-31-14-19(35-24)11-15-4-3-5-17(10-15)25(27,28)29/h1-10,12,14H,11H2,(H,31,32,33)
InChIK	WLANFJMAPLBCLO-UHFFFAOYSA-N
TotalMolweight	497.471
Molweight	497.471
MonoisotopicMass	497.082109
CLogP	6.3997
CLogS	-7.876
H Acceptors	5
H Donors	1
TotalSurfaceArea	362.13
Relative PSA	0.23058
PolarSurfaceArea	107.16
Druglikeness	-6.6942
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide

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