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

Formula:C29H20N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C29H20N5OFS
Smiles	N#C/C(/C(Nc1ncc(Cc(cccc2)c2F)s1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C29H20FN5OS/c30-26-14-8-7-11-21(26)16-25-18-32-29(37-25)33-28(36)22(17-31)15-23-19-35(24-12-5-2-6-13-24)34-27(23)20-9-3-1-4-10-20/h1-15,18-19H,16H2,(H,32,33,36)
InChIK	QMXAPWJQXDOTMD-UHFFFAOYSA-N
TotalMolweight	505.576
Molweight	505.576
MonoisotopicMass	505.137258
CLogP	5.5315
CLogS	-7.151
H Acceptors	6
H Donors	1
TotalSurfaceArea	390.7
Relative PSA	0.22327
PolarSurfaceArea	111.84
Druglikeness	0.19069
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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