C21H12N3F5S | Cheminformatics

(Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

Formula:C21H12N3F5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is not a drug-like molecule.

MolName(Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
MolecularFormulaC21H12N3F5S
SmilesFC(c1cccc(N(C=C(c(cc2)cc(F)c2F)S2)/C2=N/c2ncccc2)c1)(F)F
InChIInChI=1S/C21H12F5N3S/c22-16-8-7-13(10-17(16)23)18-12-29(15-5-3-4-14(11-15)21(24,25)26)20(30-18)28-19-6-1-2-9-27-19/h1-12H
InChIKGOJNSVSMEDRCQQ-UHFFFAOYSA-N
TotalMolweight433.403
Molweight433.403
MonoisotopicMass433.067207
CLogP5.4349
CLogS-5.644
H Acceptors3
TotalSurfaceArea295.67
Relative PSA0.14719
PolarSurfaceArea53.79
Druglikeness-5.3572
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.43333
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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