2-((1S,3R,4R)-2-Azabicyclo[2.2.1]heptan-3-yl)-4-phenylthiazole
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CAS Number 1246090-88-9
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Catalog Number io-406914
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Molecular Weight 256.4000
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SMILES
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| 1 | 2-((1S,3R,4R)-2-Azabicyclo[2.2.1]heptan-3-yl)-4-phenylthiazole |
| 2 | CS-0438848 |
| Molecular Formula | C15H16N2S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 256.4000 |
| InChIKey | IXSOVXPFKZUATO-MBNYWOFBSA-N |
| InChI | InChI=1S/C15H16N2S/c1-2-4-10(5-3-1)13-9-18-15(17-13)14-11-6-7-12(8-11)16-14/h1-5,9,11-12,14,16H,6-8H2/t11-,12+,14-/m1/s1 |
| XLogP | 3.0000 |
| ExactMass | 256.1034 |
| MonoisotopicMass | 256.1034 |
| TPSA | 53.2000 |
| Complexity | 303.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 3 |
| DefinedAtomStereoCount | 3 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
