MolName : (2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide |
MolecularFormula : C14H13N3O2S |
Smiles : O=C(/C=C1/SC2=NCCCN2C1=O)Nc1ccccc1 |
InChI : InChI=1S/C14H13N3O2S/c18-12(16-10-5-2-1-3-6-10)9-11-13(19)17-8-4-7-15-14(17)20-11/h1-3,5-6,9H,4,7-8H2,(H,16,18) |
InChIK : YQLDAQXTIUWOCK-UHFFFAOYSA-N |
TotalMolweight : 287.342 |
Molweight : 287.342 |
MonoisotopicMass : 287.072847 |
CLogP : 1.3347 |
CLogS : -3.005 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 209.97 |
Relative PSA : 0.33381 |
PolarSurfaceArea : 87.07 |
Druglikeness : 4.1726 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |