| MolName | N-[(E)-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide |
| MolecularFormula | C19H15N3O2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)Nc1nccs1 |
| InChI | InChI=1S/C19H15N3O2S/c23-17(15-9-5-2-6-10-15)21-16(13-14-7-3-1-4-8-14)18(24)22-19-20-11-12-25-19/h1-13H,(H,21,23)(H,20,22,24) |
| InChIK | DRNDZRQACHEQRQ-UHFFFAOYSA-N |
| TotalMolweight | 349.413 |
| Molweight | 349.413 |
| MonoisotopicMass | 349.088497 |
| CLogP | 4.0491 |
| CLogS | -4.606 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.61 |
| Relative PSA | 0.29685 |
| PolarSurfaceArea | 99.33 |
| Druglikeness | 3.7965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide | 2 - N-[(E)-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide