(E)-N-[(phenylcarbamoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C15H14N4O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(phenylcarbamoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(phenylcarbamoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H14N4O2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(NNC(Nc1ccccc1)=O)=S |
| InChI | InChI=1S/C15H14N4O2S2/c20-13(9-8-12-7-4-10-23-12)17-15(22)19-18-14(21)16-11-5-2-1-3-6-11/h1-10H,(H2,16,18,21)(H2,17,19,20,22) |
| InChIK | BJOUKXGTCUDUBF-UHFFFAOYSA-N |
| TotalMolweight | 346.434 |
| Molweight | 346.434 |
| MonoisotopicMass | 346.055816 |
| CLogP | 1.9897 |
| CLogS | -4.751 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 269.51 |
| Relative PSA | 0.44629 |
| PolarSurfaceArea | 142.59 |
| Druglikeness | 2.7563 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[(phenylcarbamoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(phenylcarbamoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off