2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole

C11H16N2OS — CID 164642291

IUPAC2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole
SMILESCc1csc(O[C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-11(12-8)14-10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3/t10-/m0/s1
InChIKeyQSQDJDNEMOBUQF-JTQLQIEISA-N
MW224.33 g/mol
LogP1.92
Rot. Bonds2

About 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole

2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole (PubChem CID 164642291) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole
PubChem CID164642291
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole
SMILESCc1csc(O[C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-11(12-8)14-10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3/t10-/m0/s1
InChIKeyQSQDJDNEMOBUQF-JTQLQIEISA-N
XLogP1.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole (CID 164642291) is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole is Cc1csc(O[C@H]2CN3CCC2CC3)n1.
What is the InChIKey of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole?
The InChIKey is QSQDJDNEMOBUQF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-7-15-11(12-8)14-10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3/t10-/m0/s1.
What are the key properties of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole?
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole has a molecular weight of 224.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-methyl-1,3-thiazole is sourced from PubChem (CID 164642291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).