2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
Formula:C18H12NOF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is a drug-like molecule.
| MolName | 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-4-(4-fluorophenyl)-1,3-thiazole |
| MolecularFormula | C18H12NOF3S |
| Smiles | FC(Oc1c(/C=C/c2nc(-c(cc3)ccc3F)cs2)cccc1)F |
| InChI | InChI=1S/C18H12F3NOS/c19-14-8-5-12(6-9-14)15-11-24-17(22-15)10-7-13-3-1-2-4-16(13)23-18(20)21/h1-11,18H |
| InChIK | JZXGUPCYHRZWDJ-UHFFFAOYSA-N |
| TotalMolweight | 347.359 |
| Molweight | 347.359 |
| MonoisotopicMass | 347.059168 |
| CLogP | 4.7171 |
| CLogS | -5.496 |
| H Acceptors | 2 |
| TotalSurfaceArea | 255.53 |
| Relative PSA | 0.16174 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | -0.39094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-4-(4-fluorophenyl)-1,3-thiazole | 2 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off