| MolName | 2-[3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]indol-1-yl]-N-phenylacetamide |
| MolecularFormula | C20H16N4O2S |
| Smiles | NC(S/C1=C\c2cn(CC(Nc3ccccc3)=O)c3c2cccc3)=NC1=O |
| InChI | InChI=1S/C20H16N4O2S/c21-20-23-19(26)17(27-20)10-13-11-24(16-9-5-4-8-15(13)16)12-18(25)22-14-6-2-1-3-7-14/h1-11H,12H2,(H,22,25)(H2,21,23,26) |
| InChIK | ZNSKMUNPWOSNTH-UHFFFAOYSA-N |
| TotalMolweight | 376.439 |
| Molweight | 376.439 |
| MonoisotopicMass | 376.099396 |
| CLogP | 1.8123 |
| CLogS | -4.456 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 277.73 |
| Relative PSA | 0.3193 |
| PolarSurfaceArea | 114.78 |
| Druglikeness | 4.8717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]indol-1-yl]-N-phenylacetamide | 2 - 2-[3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]indol-1-yl]-N-phenylacetamide