(E)-N-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C15H19N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H19N3O2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(NCCCN(CCC1)C1=O)=S |
| InChI | InChI=1S/C15H19N3O2S2/c19-13(7-6-12-4-2-11-22-12)17-15(21)16-8-3-10-18-9-1-5-14(18)20/h2,4,6-7,11H,1,3,5,8-10H2,(H2,16,17,19,21) |
| InChIK | HADHMVZLTDAZFM-UHFFFAOYSA-N |
| TotalMolweight | 337.467 |
| Molweight | 337.467 |
| MonoisotopicMass | 337.091867 |
| CLogP | 1.8556 |
| CLogS | -2.907 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.19 |
| Relative PSA | 0.37909 |
| PolarSurfaceArea | 121.77 |
| Druglikeness | 4.0003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide
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