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

Formula:C18H10N4ClF3S2 Mutagenic:none Tumorigenic:high Reproductive Effective:low 5-[(E)-2-anilinoethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is a drug-like molecule.

MolName	5-[(E)-2-anilinoethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
MolecularFormula	C18H10N4ClF3S2
Smiles	N#Cc1c(/C=C/Nc2ccccc2)snc1Sc(ncc(C(F)(F)F)c1)c1Cl
InChI	InChI=1S/C18H10ClF3N4S2/c19-14-8-11(18(20,21)22)10-25-17(14)27-16-13(9-23)15(28-26-16)6-7-24-12-4-2-1-3-5-12/h1-8,10,24H
InChIK	WLACFGSAVVFSGN-UHFFFAOYSA-N
TotalMolweight	438.884
Molweight	438.884
MonoisotopicMass	437.998747
CLogP	4.7001
CLogS	-4.852
H Acceptors	4
H Donors	1
TotalSurfaceArea	308.28
Relative PSA	0.27511
PolarSurfaceArea	115.14
Druglikeness	-9.9115
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
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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