N-[(Z)-benzylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
Formula:C17H14N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide |
| MolecularFormula | C17H14N6O2S |
| Smiles | O=C(c1c(NC(Nc2ccccc2)=O)snn1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H14N6O2S/c24-15(22-18-11-12-7-3-1-4-8-12)14-16(26-23-21-14)20-17(25)19-13-9-5-2-6-10-13/h1-11H,(H,22,24)(H2,19,20,25) |
| InChIK | ILHJVLMIKYVXGY-UHFFFAOYSA-N |
| TotalMolweight | 366.404 |
| Molweight | 366.404 |
| MonoisotopicMass | 366.089894 |
| CLogP | 3.5174 |
| CLogS | -5.56 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 280.88 |
| Relative PSA | 0.40683 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 1.3633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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