2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole

C11H16N2S — CID 19908364

IUPAC2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole
SMILESc1csc(CC2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2S/c1-4-13-5-2-9(1)10(8-13)7-11-12-3-6-14-11/h3,6,9-10H,1-2,4-5,7-8H2
InChIKeyBEBRDMZDCXOXHT-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.03
Rot. Bonds2

About 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole

2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole (PubChem CID 19908364) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole
PubChem CID19908364
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole
SMILESc1csc(CC2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2S/c1-4-13-5-2-9(1)10(8-13)7-11-12-3-6-14-11/h3,6,9-10H,1-2,4-5,7-8H2
InChIKeyBEBRDMZDCXOXHT-UHFFFAOYSA-N
XLogP2.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-((1,3-Thiazol-2-yl)methyl)piperidine
CID 24262127
2-[[9-(Cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370618
2-Heptan-3-yl-1,3-thiazole
CID 3023053
2-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
CID 174585514
2-(Cyclohexyl)thiazole
CID 18334027
(+/-) 3-((1,3-Thiazol-2-yl)methyl)-1-azabicyclo[2.2.2]octane oxalate salt
CID 19908363
2-(2,3-Dimethylbutyl)-1,3-thiazole
CID 20745719
2-(1-Methylpiperidin-4-YL)thiazole
CID 58293797
2-[(1-Methylpiperidin-4-yl)methyl]-1,3-thiazole
CID 58702724
2-[(4-Methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 58990395
2-(1-Methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
Azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole
CID 66614919

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole (CID 19908364) is 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole is c1csc(CC2CN3CCC2CC3)n1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole?
The InChIKey is BEBRDMZDCXOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-13-5-2-9(1)10(8-13)7-11-12-3-6-14-11/h3,6,9-10H,1-2,4-5,7-8H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole?
2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole has a molecular weight of 208.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 19908364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).