(E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
Formula:C17H12N2O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C17H12N2O2Cl2S |
| Smiles | O=C(/C=C/c1ccco1)Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C17H12Cl2N2O2S/c18-14-5-3-11(9-15(14)19)8-13-10-20-17(24-13)21-16(22)6-4-12-2-1-7-23-12/h1-7,9-10H,8H2,(H,20,21,22) |
| InChIK | KGPCYFQRIDPBFW-UHFFFAOYSA-N |
| TotalMolweight | 379.266 |
| Molweight | 379.266 |
| MonoisotopicMass | 377.999652 |
| CLogP | 5.0604 |
| CLogS | -6.206 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.48 |
| Relative PSA | 0.25205 |
| PolarSurfaceArea | 83.37 |
| Druglikeness | 1.3297 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
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