2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H16N4OS4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H16N4OS4 |
| Smiles | O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H16N4OS4/c25-18(22-21-11-16-8-4-10-26-16)13-28-20-24-23-19(29-20)27-12-15-7-3-6-14-5-1-2-9-17(14)15/h1-11H,12-13H2,(H,22,25) |
| InChIK | VBLHJTPRPPTLOH-UHFFFAOYSA-N |
| TotalMolweight | 456.638 |
| Molweight | 456.638 |
| MonoisotopicMass | 456.020691 |
| CLogP | 5.474 |
| CLogS | -7.956 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 333.25 |
| Relative PSA | 0.40105 |
| PolarSurfaceArea | 174.32 |
| Druglikeness | 6.4167 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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