2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C17H15N5OS3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C17H15N5OS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H15N5OS3/c23-15(20-19-10-14-8-4-5-9-18-14)12-25-17-22-21-16(26-17)24-11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,20,23) |
| InChIK | JJYPPUKXJQBGDX-UHFFFAOYSA-N |
| TotalMolweight | 401.538 |
| Molweight | 401.538 |
| MonoisotopicMass | 401.04387 |
| CLogP | 3.4661 |
| CLogS | -5.569 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.47 |
| Relative PSA | 0.41218 |
| PolarSurfaceArea | 158.97 |
| Druglikeness | 5.1323 |
| Mutagenic | low |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
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