(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C20H15N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H15N2OF3S |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1ncc(Cc2ccccc2)s1 |
| InChI | InChI=1S/C20H15F3N2OS/c21-20(22,23)16-8-4-7-15(11-16)9-10-18(26)25-19-24-13-17(27-19)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,24,25,26) |
| InChIK | FBEPJYOVRUHTAN-UHFFFAOYSA-N |
| TotalMolweight | 388.412 |
| Molweight | 388.412 |
| MonoisotopicMass | 388.085717 |
| CLogP | 5.508 |
| CLogS | -5.83 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.41 |
| Relative PSA | 0.19493 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -5.9614 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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