N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C15H11N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C15H11N5O2S2 |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C15H11N5O2S2/c21-12(13(22)18-16-9-11-7-4-8-23-11)17-15-20-19-14(24-15)10-5-2-1-3-6-10/h1-9H,(H,18,22)(H,17,20,21) |
| InChIK | KSWDQIHGTWKLTD-UHFFFAOYSA-N |
| TotalMolweight | 357.417 |
| Molweight | 357.417 |
| MonoisotopicMass | 357.035415 |
| CLogP | 2.6785 |
| CLogS | -4.039 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.36 |
| Relative PSA | 0.46416 |
| PolarSurfaceArea | 152.82 |
| Druglikeness | 5.7517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide | 2 - N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off