(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

Formula:C15H8N4OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormulaC15H8N4OCl2S
SmilesN#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(n(ccs1)c1n1)c1Cl
InChIInChI=1S/C15H8Cl2N4OS/c16-10-1-3-11(4-2-10)19-14(22)9(8-18)7-12-13(17)20-15-21(12)5-6-23-15/h1-7H,(H,19,22)
InChIKPXWVIRLVTVDIND-UHFFFAOYSA-N
TotalMolweight363.228
Molweight363.228
MonoisotopicMass361.979585
CLogP3.4249
CLogS-3.78
H Acceptors5
H Donors1
TotalSurfaceArea259.44
Relative PSA0.2981
PolarSurfaceArea98.43
Druglikeness-0.30237
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms14
Symmetricatoms2
Amides1
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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