| MolName | (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide |
| MolecularFormula | C11H8N3O2ClS |
| Smiles | NC(S/C1=C\C(Nc(cc2)ccc2Cl)=O)=NC1=O |
| InChI | InChI=1S/C11H8ClN3O2S/c12-6-1-3-7(4-2-6)14-9(16)5-8-10(17)15-11(13)18-8/h1-5H,(H,14,16)(H2,13,15,17) |
| InChIK | IJCCSQBYFRKROB-UHFFFAOYSA-N |
| TotalMolweight | 281.723 |
| Molweight | 281.723 |
| MonoisotopicMass | 281.002574 |
| CLogP | 0.8737 |
| CLogS | -3.771 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 195.83 |
| Relative PSA | 0.41776 |
| PolarSurfaceArea | 109.85 |
| Druglikeness | 1.3576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide | 2 - (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide