(E)-N-(pyridin-3-ylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(pyridin-3-ylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(pyridin-3-ylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H11N3OS2 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc1cnccc1)=S |
| InChI | InChI=1S/C13H11N3OS2/c17-12(6-5-11-4-2-8-19-11)16-13(18)15-10-3-1-7-14-9-10/h1-9H,(H2,15,16,17,18) |
| InChIK | YYBMHXWIKVADIJ-UHFFFAOYSA-N |
| TotalMolweight | 289.382 |
| Molweight | 289.382 |
| MonoisotopicMass | 289.034352 |
| CLogP | 2.1844 |
| CLogS | -3.258 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.6 |
| Relative PSA | 0.41867 |
| PolarSurfaceArea | 114.35 |
| Druglikeness | 1.5185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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