5-(phenylcarbamoylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiadiazole-4-carboxamide
Formula:C19H16N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(phenylcarbamoylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiadiazole-4-carboxamide is a drug-like molecule.
| MolName | 5-(phenylcarbamoylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiadiazole-4-carboxamide |
| MolecularFormula | C19H16N6O2S |
| Smiles | O=C(c1c(NC(Nc2ccccc2)=O)snn1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N6O2S/c26-17(24-20-13-7-10-14-8-3-1-4-9-14)16-18(28-25-23-16)22-19(27)21-15-11-5-2-6-12-15/h1-13H,(H,24,26)(H2,21,22,27) |
| InChIK | AZQKXORNBMERJX-UHFFFAOYSA-N |
| TotalMolweight | 392.442 |
| Molweight | 392.442 |
| MonoisotopicMass | 392.105544 |
| CLogP | 3.5357 |
| CLogS | -5.852 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 307.38 |
| Relative PSA | 0.37175 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 1.3888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-(phenylcarbamoylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiadiazole-4-carboxamide | 2 - 5-(phenylcarbamoylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiadiazole-4-carboxamide
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