(E)-N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C13H9N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C13H9N2OF3S |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1nccs1 |
| InChI | InChI=1S/C13H9F3N2OS/c14-13(15,16)10-3-1-2-9(8-10)4-5-11(19)18-12-17-6-7-20-12/h1-8H,(H,17,18,19) |
| InChIK | ZCCLLDJELSMYOU-UHFFFAOYSA-N |
| TotalMolweight | 298.287 |
| Molweight | 298.287 |
| MonoisotopicMass | 298.038767 |
| CLogP | 3.6099 |
| CLogS | -4.009 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.89 |
| Relative PSA | 0.26225 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -6.6136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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