(2R)-2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide
Formula:C11H19N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2R)-2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide is a drug-like molecule.
| MolName | (2R)-2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide |
| MolecularFormula | C11H19N3OS2 |
| Smiles | CCCC[C@@H](CC)C(Nc1nnc(SC)s1)=O |
| InChI | InChI=1S/C11H19N3OS2/c1-4-6-7-8(5-2)9(15)12-10-13-14-11(16-3)17-10/h8H,4-7H2,1-3H3,(H,12,13,15)/t8-/m1/s1 |
| InChIK | BXVSPVQZKCJRRD-MRVPVSSYSA-N |
| TotalMolweight | 273.424 |
| Molweight | 273.424 |
| MonoisotopicMass | 273.096952 |
| CLogP | 3.6685 |
| CLogS | -4.095 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.74 |
| Relative PSA | 0.38711 |
| PolarSurfaceArea | 108.42 |
| Druglikeness | 0.11781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide | 2 - (2R)-2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide
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