2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C17H14N5OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C17H14N5OClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C17H14ClN5OS3/c18-14-3-1-13(2-4-14)10-25-16-22-23-17(27-16)26-11-15(24)21-20-9-12-5-7-19-8-6-12/h1-9H,10-11H2,(H,21,24) |
| InChIK | XJEFFHWUORYDBS-UHFFFAOYSA-N |
| TotalMolweight | 435.983 |
| Molweight | 435.983 |
| MonoisotopicMass | 435.004897 |
| CLogP | 4.0181 |
| CLogS | -6.281 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.89 |
| Relative PSA | 0.39212 |
| PolarSurfaceArea | 158.97 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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