(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

Formula:C24H14N3O2Cl2FS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C24H14N3O2Cl2FS
Smiles	N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C24H14Cl2FN3O2S/c25-17-3-7-21(26)15(9-17)11-20-13-29-24(33-20)30-23(31)16(12-28)10-19-6-8-22(32-19)14-1-4-18(27)5-2-14/h1-10,13H,11H2,(H,29,30,31)
InChIK	HBZQFTRHQSSLBE-UHFFFAOYSA-N
TotalMolweight	498.364
Molweight	498.364
MonoisotopicMass	497.016779
CLogP	6.7634
CLogS	-8.57
H Acceptors	5
H Donors	1
TotalSurfaceArea	363.51
Relative PSA	0.2297
PolarSurfaceArea	107.16
Druglikeness	-0.7872
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

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