3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-(4-fluoroanilino)ethenyl]-1,2-thiazole-4-carbonitrile

Formula:C18H9N4ClF4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-(4-fluoroanilino)ethenyl]-1,2-thiazole-4-carbonitrile is a drug-like molecule.

MolName	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-(4-fluoroanilino)ethenyl]-1,2-thiazole-4-carbonitrile
MolecularFormula	C18H9N4ClF4S2
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2F)snc1Sc(ncc(C(F)(F)F)c1)c1Cl
InChI	InChI=1S/C18H9ClF4N4S2/c19-14-7-10(18(21,22)23)9-26-17(14)28-16-13(8-24)15(29-27-16)5-6-25-12-3-1-11(20)2-4-12/h1-7,9,25H
InChIK	RLOHITMHFNERHR-UHFFFAOYSA-N
TotalMolweight	456.874
Molweight	456.874
MonoisotopicMass	455.989325
CLogP	4.8009
CLogS	-5.166
H Acceptors	4
H Donors	1
TotalSurfaceArea	314.63
Relative PSA	0.26955
PolarSurfaceArea	115.14
Druglikeness	-9.9115
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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