2-[(2R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole
Formula:C17H14N3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(2R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole |
| MolecularFormula | C17H14N3F3S |
| Smiles | FC(c(cc1)cnc1N(CCC1)[C@H]1c1nc(cccc2)c2s1)(F)F |
| InChI | InChI=1S/C17H14F3N3S/c18-17(19,20)11-7-8-15(21-10-11)23-9-3-5-13(23)16-22-12-4-1-2-6-14(12)24-16/h1-2,4,6-8,10,13H,3,5,9H2/t13-/m1/s1 |
| InChIK | AZKYKRQNERCSGN-CYBMUJFWSA-N |
| TotalMolweight | 349.379 |
| Molweight | 349.379 |
| MonoisotopicMass | 349.086051 |
| CLogP | 3.8728 |
| CLogS | -4.204 |
| H Acceptors | 3 |
| TotalSurfaceArea | 241.12 |
| Relative PSA | 0.19015 |
| PolarSurfaceArea | 57.26 |
| Druglikeness | -3.2521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 2-[(2R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole | 2 - 2-[(2R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole
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