N'-[(Z)-benzylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
Formula:C17H13N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C17H13N5O2S |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C17H13N5O2S/c23-14(15(24)20-18-11-12-7-3-1-4-8-12)19-17-22-21-16(25-17)13-9-5-2-6-10-13/h1-11H,(H,20,24)(H,19,22,23) |
| InChIK | AMEYLJZDBBZJRT-UHFFFAOYSA-N |
| TotalMolweight | 351.389 |
| Molweight | 351.389 |
| MonoisotopicMass | 351.078995 |
| CLogP | 2.8119 |
| CLogS | -4.029 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.42 |
| Relative PSA | 0.3816 |
| PolarSurfaceArea | 124.58 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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