2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C18H13N3OClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H13N3OClFS2 |
| Smiles | O=C(CSc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H13ClFN3OS2/c19-14-5-3-13(4-6-14)16-10-25-18(22-16)26-11-17(24)23-21-9-12-1-7-15(20)8-2-12/h1-10H,11H2,(H,23,24) |
| InChIK | BIZHFSCOMBTHDO-UHFFFAOYSA-N |
| TotalMolweight | 405.904 |
| Molweight | 405.904 |
| MonoisotopicMass | 405.017257 |
| CLogP | 5.1962 |
| CLogS | -6.693 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.47 |
| Relative PSA | 0.28808 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 4.455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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