| MolName | 4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide |
| MolecularFormula | C15H12N6O2S2 |
| Smiles | O=C(c1c(C(N/N=C\c2cccs2)=O)nc[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H12N6O2S2/c22-14(20-18-7-10-3-1-5-24-10)12-13(17-9-16-12)15(23)21-19-8-11-4-2-6-25-11/h1-9H,(H,16,17)(H,20,22)(H,21,23) |
| InChIK | WTWPJCXQGQLJCK-UHFFFAOYSA-N |
| TotalMolweight | 372.432 |
| Molweight | 372.432 |
| MonoisotopicMass | 372.046314 |
| CLogP | 2.745 |
| CLogS | -4.709 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 280.93 |
| Relative PSA | 0.49016 |
| PolarSurfaceArea | 168.08 |
| Druglikeness | 7.1561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide | 2 - 4-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-4,5-dicarboxamide