MolName : (2Z)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
MolecularFormula : C11H10N2OS2 |
Smiles : O=C(/C(/S1)=C/c2cccs2)N2C1=NCCC2 |
InChI : InChI=1S/C11H10N2OS2/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2 |
InChIK : LOOXZKUAZICRFJ-UHFFFAOYSA-N |
TotalMolweight : 250.345 |
Molweight : 250.345 |
MonoisotopicMass : 250.023453 |
CLogP : 1.9316 |
CLogS : -3.269 |
H Acceptors : 3 |
TotalSurfaceArea : 176.7 |
Relative PSA : 0.37323 |
PolarSurfaceArea : 86.21 |
Druglikeness : 5.7263 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 4 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |