(E)-3-phenyl-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
Formula:C19H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide |
| MolecularFormula | C19H15N3OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1 |
| InChI | InChI=1S/C19H15N3OS/c23-17(13-11-15-7-3-1-4-8-15)20-19-22-21-18(24-19)14-12-16-9-5-2-6-10-16/h1-14H,(H,20,22,23) |
| InChIK | OOBQOPWXUQOOSD-UHFFFAOYSA-N |
| TotalMolweight | 333.414 |
| Molweight | 333.414 |
| MonoisotopicMass | 333.093582 |
| CLogP | 4.1863 |
| CLogS | -4.841 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.45 |
| Relative PSA | 0.24884 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | 2.4643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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