N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C16H12N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C16H12N6O2S |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C16H12N6O2S/c23-13(14(24)20-18-10-11-5-4-8-17-9-11)19-16-22-21-15(25-16)12-6-2-1-3-7-12/h1-10H,(H,20,24)(H,19,22,23) |
| InChIK | MVOGDVXPAAPOSK-UHFFFAOYSA-N |
| TotalMolweight | 352.377 |
| Molweight | 352.377 |
| MonoisotopicMass | 352.074244 |
| CLogP | 1.811 |
| CLogS | -3.234 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 268.18 |
| Relative PSA | 0.42427 |
| PolarSurfaceArea | 137.47 |
| Druglikeness | 5.1211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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