(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C17H12N2O2F2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C17H12N2O2F2S2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)F)Nc1nc(-c2cccs2)cs1 |
| InChI | InChI=1S/C17H12F2N2O2S2/c18-16(19)23-12-6-3-11(4-7-12)5-8-15(22)21-17-20-13(10-25-17)14-2-1-9-24-14/h1-10,16H,(H,20,21,22) |
| InChIK | NJZJGJNFVVYHLU-UHFFFAOYSA-N |
| TotalMolweight | 378.422 |
| Molweight | 378.422 |
| MonoisotopicMass | 378.030824 |
| CLogP | 4.7047 |
| CLogS | -5.552 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.33 |
| Relative PSA | 0.31418 |
| PolarSurfaceArea | 107.7 |
| Druglikeness | 0.16406 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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