2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C16H14N4O2S3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C16H14N4O2S3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H14N4O2S3/c21-14(18-17-9-13-7-4-8-22-13)11-24-16-20-19-15(25-16)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21) |
| InChIK | LEVUKXJXYKHQGL-UHFFFAOYSA-N |
| TotalMolweight | 390.511 |
| Molweight | 390.511 |
| MonoisotopicMass | 390.027886 |
| CLogP | 3.6017 |
| CLogS | -6.022 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.4 |
| Relative PSA | 0.4357 |
| PolarSurfaceArea | 159.22 |
| Druglikeness | 4.9442 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off