N-[(Z)-benzylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
Formula:C18H16N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C18H16N6O2S |
| Smiles | O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H16N6O2S/c25-15(22-19-12-13-7-3-1-4-8-13)11-16-23-24-18(27-16)21-17(26)20-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,22,25)(H2,20,21,24,26) |
| InChIK | CFFGCYBQGDFVTF-UHFFFAOYSA-N |
| TotalMolweight | 380.431 |
| Molweight | 380.431 |
| MonoisotopicMass | 380.105544 |
| CLogP | 3.1841 |
| CLogS | -4.921 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 294.64 |
| Relative PSA | 0.38783 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 6.4542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off