2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-4-carboxamide

Formula:C27H18N5OF3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-4-carboxamide is not a drug-like molecule.

MolName	2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-4-carboxamide
MolecularFormula	C27H18N5OF3S
Smiles	O=C(c1csc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3cc2)n1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C27H18F3N5OS/c28-27(29,30)24-16-23(21-13-12-19-10-4-5-11-20(19)15-21)35(34-24)26-32-22(17-37-26)25(36)33-31-14-6-9-18-7-2-1-3-8-18/h1-17H,(H,33,36)
InChIK	LKXQFYNEXHRTHS-UHFFFAOYSA-N
TotalMolweight	517.534
Molweight	517.534
MonoisotopicMass	517.118414
CLogP	5.966
CLogS	-6.88
H Acceptors	6
H Donors	1
TotalSurfaceArea	379.73
Relative PSA	0.22432
PolarSurfaceArea	100.41
Druglikeness	-4.2748
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - 2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-4-carboxamide | 2 - 2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-4-carboxamide

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