2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C16H13N4OBrS4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C16H13N4OBrS4 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C16H13BrN4OS4/c17-13-7-6-12(25-13)8-18-19-14(22)10-24-16-21-20-15(26-16)23-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,22) |
| InChIK | QLTJRLMIIUCALP-UHFFFAOYSA-N |
| TotalMolweight | 485.474 |
| Molweight | 485.474 |
| MonoisotopicMass | 483.915552 |
| CLogP | 5.2095 |
| CLogS | -7.201 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.28 |
| Relative PSA | 0.42124 |
| PolarSurfaceArea | 174.32 |
| Druglikeness | 2.7168 |
| Mutagenic | none |
| 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-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
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