(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
Formula:C18H12N2OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide |
| MolecularFormula | C18H12N2OF2S |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nc(-c(ccc(F)c2)c2F)cs1 |
| InChI | InChI=1S/C18H12F2N2OS/c19-13-7-8-14(15(20)10-13)16-11-24-18(21-16)22-17(23)9-6-12-4-2-1-3-5-12/h1-11H,(H,21,22,23) |
| InChIK | SMJMEWTXCAVVCL-UHFFFAOYSA-N |
| TotalMolweight | 342.368 |
| Molweight | 342.368 |
| MonoisotopicMass | 342.063839 |
| CLogP | 4.7134 |
| CLogS | -5.637 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 255.89 |
| Relative PSA | 0.21818 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.0038913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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