2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C16H13N4O2ClS3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C16H13N4O2ClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H13ClN4O2S3/c17-12-5-3-11(4-6-12)9-24-15-20-21-16(26-15)25-10-14(22)19-18-8-13-2-1-7-23-13/h1-8H,9-10H2,(H,19,22) |
| InChIK | WZWVWOIWPXCRLG-UHFFFAOYSA-N |
| TotalMolweight | 424.956 |
| Molweight | 424.956 |
| MonoisotopicMass | 423.988913 |
| CLogP | 4.2077 |
| CLogS | -6.758 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.82 |
| Relative PSA | 0.41388 |
| PolarSurfaceArea | 159.22 |
| Druglikeness | 4.9976 |
| Mutagenic | high |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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