(E)-3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C16H10N2OCl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C16H10N2OCl2S2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)Nc1nc(-c2cccs2)cs1 |
| InChI | InChI=1S/C16H10Cl2N2OS2/c17-11-3-1-4-12(18)10(11)6-7-15(21)20-16-19-13(9-23-16)14-5-2-8-22-14/h1-9H,(H,19,20,21) |
| InChIK | AQKFDCUPXCNJMP-UHFFFAOYSA-N |
| TotalMolweight | 381.306 |
| Molweight | 381.306 |
| MonoisotopicMass | 379.961157 |
| CLogP | 5.7473 |
| CLogS | -6.402 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.97 |
| Relative PSA | 0.28222 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 3.0383 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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