5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-2-thione
Formula:C14H11N3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1H-imidazole-2-thione |
| MolecularFormula | C14H11N3S2 |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C14H11N3S2/c18-14-16-13(11-5-2-1-3-6-11)10-17(14)15-9-12-7-4-8-19-12/h1-10H,(H,16,18) |
| InChIK | IEXVIZYMDZIMLI-UHFFFAOYSA-N |
| TotalMolweight | 285.394 |
| Molweight | 285.394 |
| MonoisotopicMass | 285.039437 |
| CLogP | 3.2927 |
| CLogS | -4.227 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.4 |
| Relative PSA | 0.34129 |
| PolarSurfaceArea | 87.96 |
| Druglikeness | 5.095 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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