5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1H-imidazole-2-thione
Formula:C15H12N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1H-imidazole-2-thione |
| MolecularFormula | C15H12N4S |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H12N4S/c20-15-18-14(13-6-2-1-3-7-13)11-19(15)17-10-12-5-4-8-16-9-12/h1-11H,(H,18,20) |
| InChIK | CBNVOALXDDPCQD-UHFFFAOYSA-N |
| TotalMolweight | 280.354 |
| Molweight | 280.354 |
| MonoisotopicMass | 280.078266 |
| CLogP | 2.4252 |
| CLogS | -3.422 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.22 |
| Relative PSA | 0.29471 |
| PolarSurfaceArea | 72.61 |
| Druglikeness | 3.4867 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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