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

C10H14N2OS — CID 164638609

IUPAC2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole
SMILESc1csc(O[C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C10H14N2OS/c1-4-12-5-2-8(1)9(7-12)13-10-11-3-6-14-10/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1
InChIKeyUWTQOLOLPFXQGO-VIFPVBQESA-N
MW210.30 g/mol
LogP1.62
Rot. Bonds2

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

2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole (PubChem CID 164638609) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole
PubChem CID164638609
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole
SMILESc1csc(O[C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C10H14N2OS/c1-4-12-5-2-8(1)9(7-12)13-10-11-3-6-14-10/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1
InChIKeyUWTQOLOLPFXQGO-VIFPVBQESA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.62
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]-1,3-thiazole?
The IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole (CID 164638609) is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole is c1csc(O[C@H]2CN3CCC2CC3)n1.
What is the InChIKey of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole?
The InChIKey is UWTQOLOLPFXQGO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2OS/c1-4-12-5-2-8(1)9(7-12)13-10-11-3-6-14-10/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1.
What are the key properties of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole?
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole has a molecular weight of 210.30 g/mol, XLogP of 1.62, 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]-1,3-thiazole is sourced from PubChem (CID 164638609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).