| MolName | N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide |
| MolecularFormula | C15H13N3O2S2 |
| Smiles | Cc(cc1)ccc1SCC(Nc1nnc(-c2ccco2)s1)=O |
| InChI | InChI=1S/C15H13N3O2S2/c1-10-4-6-11(7-5-10)21-9-13(19)16-15-18-17-14(22-15)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,16,18,19) |
| InChIK | KGJORCJNBIQNMQ-UHFFFAOYSA-N |
| TotalMolweight | 331.419 |
| Molweight | 331.419 |
| MonoisotopicMass | 331.044917 |
| CLogP | 3.2575 |
| CLogS | -3.868 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.65 |
| Relative PSA | 0.39574 |
| PolarSurfaceArea | 121.56 |
| Druglikeness | 3.9637 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide | 2 - N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide