(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C19H12N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C19H12N2OClF3S |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1nc(-c(cc2)ccc2Cl)cs1 |
| InChI | InChI=1S/C19H12ClF3N2OS/c20-15-7-5-13(6-8-15)16-11-27-18(24-16)25-17(26)9-4-12-2-1-3-14(10-12)19(21,22)23/h1-11H,(H,24,25,26) |
| InChIK | ASCWPMJEVHMDIT-UHFFFAOYSA-N |
| TotalMolweight | 408.83 |
| Molweight | 408.83 |
| MonoisotopicMass | 408.031094 |
| CLogP | 5.9661 |
| CLogS | -6.523 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.07 |
| Relative PSA | 0.19381 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -5.785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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