N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Formula:C19H13N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide |
| MolecularFormula | C19H13N3O2S |
| Smiles | O=C(c1cccc2ccccc12)Nc1nnc(/C=C/c2ccco2)s1 |
| InChI | InChI=1S/C19H13N3O2S/c23-18(16-9-3-6-13-5-1-2-8-15(13)16)20-19-22-21-17(25-19)11-10-14-7-4-12-24-14/h1-12H,(H,20,22,23) |
| InChIK | QSAMXMLPKOIQLX-UHFFFAOYSA-N |
| TotalMolweight | 347.397 |
| Molweight | 347.397 |
| MonoisotopicMass | 347.072847 |
| CLogP | 4.2402 |
| CLogS | -5.759 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.24 |
| Relative PSA | 0.3039 |
| PolarSurfaceArea | 96.26 |
| Druglikeness | 3.8142 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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