(E)-3-(2-chloro-6-fluorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
Formula:C18H10N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C18H10N2OClF3S |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1nc(-c(ccc(F)c2)c2F)cs1 |
| InChI | InChI=1S/C18H10ClF3N2OS/c19-13-2-1-3-14(21)11(13)6-7-17(25)24-18-23-16(9-26-18)12-5-4-10(20)8-15(12)22/h1-9H,(H,23,24,25) |
| InChIK | JAOOPKJNBRUKRD-UHFFFAOYSA-N |
| TotalMolweight | 394.803 |
| Molweight | 394.803 |
| MonoisotopicMass | 394.015444 |
| CLogP | 5.4202 |
| CLogS | -6.687 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.66 |
| Relative PSA | 0.20107 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.06499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
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