(E)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C17H12N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H12N2O2S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1nc(-c(cccc2)c2OC2)c2s1 |
| InChI | InChI=1S/C17H12N2O2S2/c20-15(8-7-11-4-3-9-22-11)18-17-19-16-12-5-1-2-6-13(12)21-10-14(16)23-17/h1-9H,10H2,(H,18,19,20) |
| InChIK | MYTIXWVXXURSHL-UHFFFAOYSA-N |
| TotalMolweight | 340.426 |
| Molweight | 340.426 |
| MonoisotopicMass | 340.034018 |
| CLogP | 3.9609 |
| CLogS | -5.384 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.39 |
| Relative PSA | 0.3456 |
| PolarSurfaceArea | 107.7 |
| Druglikeness | 1.8433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off