(1R,5S)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
Formula:C13H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,5S)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is a drug-like molecule.
| MolName | (1R,5S)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione |
| MolecularFormula | C13H16N2O2S |
| Smiles | CC(C)([C@H](CC1)C(N2c3nccs3)=O)[C@]1(C)C2=O |
| InChI | InChI=1S/C13H16N2O2S/c1-12(2)8-4-5-13(12,3)10(17)15(9(8)16)11-14-6-7-18-11/h6-8H,4-5H2,1-3H3/t8-,13-/m0/s1 |
| InChIK | FYWRQJCVHTUURG-SDBXPKJASA-N |
| TotalMolweight | 264.348 |
| Molweight | 264.348 |
| MonoisotopicMass | 264.093248 |
| CLogP | 2.1632 |
| CLogS | -3.225 |
| H Acceptors | 4 |
| TotalSurfaceArea | 184.38 |
| Relative PSA | 0.33062 |
| PolarSurfaceArea | 78.51 |
| Druglikeness | 0.22107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,5S)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione | 2 - (1R,5S)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
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