(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
Formula:C18H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C18H15N3OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nnc(Cc2ccccc2)s1 |
| InChI | InChI=1S/C18H15N3OS/c22-16(12-11-14-7-3-1-4-8-14)19-18-21-20-17(23-18)13-15-9-5-2-6-10-15/h1-12H,13H2,(H,19,21,22) |
| InChIK | IXAUTHYEJCESCW-UHFFFAOYSA-N |
| TotalMolweight | 321.403 |
| Molweight | 321.403 |
| MonoisotopicMass | 321.093582 |
| CLogP | 3.7952 |
| CLogS | -4.416 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.71 |
| Relative PSA | 0.26123 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | 2.6116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off