N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
Formula:C18H15N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide is a drug-like molecule.
| MolName | N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide |
| MolecularFormula | C18H15N3OS2 |
| Smiles | O=C(CSc1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1 |
| InChI | InChI=1S/C18H15N3OS2/c22-16(13-23-15-9-5-2-6-10-15)19-18-21-20-17(24-18)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,19,21,22) |
| InChIK | MLKIZLJGLAQXQI-UHFFFAOYSA-N |
| TotalMolweight | 353.469 |
| Molweight | 353.469 |
| MonoisotopicMass | 353.065652 |
| CLogP | 4.0699 |
| CLogS | -5.013 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.2 |
| Relative PSA | 0.30853 |
| PolarSurfaceArea | 108.42 |
| Druglikeness | 4.0434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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