| 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 |
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1 - (2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide | 2 - (2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide