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(2E)-5-amino-3-oxo-7-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

Formula:C24H12N4OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-5-amino-3-oxo-7-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
MolName(2E)-5-amino-3-oxo-7-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
MolecularFormulaC24H12N4OF6S
SmilesNC(N(C(/C(/S1)=C\c2cc(C(F)(F)F)ccc2)=O)C1=C(C1c2cc(C(F)(F)F)ccc2)C#N)=C1C#N
InChIInChI=1S/C24H12F6N4OS/c25-23(26,27)14-5-1-3-12(7-14)8-18-21(35)34-20(33)16(10-31)19(17(11-32)22(34)36-18)13-4-2-6-15(9-13)24(28,29)30/h1-9,19H,33H2/t19-/m0/s1
InChIKHWZADVJTBNSZIR-IBGZPJMESA-N
TotalMolweight518.44
Molweight518.44
MonoisotopicMass518.063599
CLogP5.3996
CLogS-8.232
H Acceptors5
H Donors1
TotalSurfaceArea345.47
Relative PSA0.22135
PolarSurfaceArea119.21
Druglikeness-7.6178
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.44444
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
Amides1
BasicNitrogens1
StereoConracemate

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