(E)-3-(furan-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C14H10N2O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C14H10N2O2S2 |
| Smiles | O=C(/C=C/c1ccco1)Nc1nc(-c2cccs2)cs1 |
| InChI | InChI=1S/C14H10N2O2S2/c17-13(6-5-10-3-1-7-18-10)16-14-15-11(9-20-14)12-4-2-8-19-12/h1-9H,(H,15,16,17) |
| InChIK | URYUOAVHBZRPJL-UHFFFAOYSA-N |
| TotalMolweight | 302.377 |
| Molweight | 302.377 |
| MonoisotopicMass | 302.018368 |
| CLogP | 3.724 |
| CLogS | -4.612 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.82 |
| Relative PSA | 0.39463 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | 2.6897 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off