(E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide

Formula:C20H23N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName(E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide
MolecularFormulaC20H23N3O2S
SmilesO=C(CN(C1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nccs1
InChIInChI=1S/C20H23N3O2S/c24-18(22-20-21-13-14-26-20)15-23(17-9-5-2-6-10-17)19(25)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,21,22,24)
InChIKMVTJAAHXEQDJOQ-UHFFFAOYSA-N
TotalMolweight369.488
Molweight369.488
MonoisotopicMass369.151097
CLogP3.6675
CLogS-4.21
H Acceptors5
H Donors1
TotalSurfaceArea293.04
Relative PSA0.24713
PolarSurfaceArea90.54
Druglikeness-1.7057
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! thiazol-2-ylamine
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms7
Symmetricatoms4
Amides2
Aromatic Nitrogens1
StereoCon

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