1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C11H14N2O2S — CID 67257074

IUPAC1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCCC1(c1nccs1)CC2
InChIInChI=1S/C11H14N2O2S/c14-10(15)13-8-2-1-4-11(13,5-3-8)9-12-6-7-16-9/h6-8H,1-5H2,(H,14,15)
InChIKeyOCHOVDXDBLIPTO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.66
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid

1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 67257074) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID67257074
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCCC1(c1nccs1)CC2
InChIInChI=1S/C11H14N2O2S/c14-10(15)13-8-2-1-4-11(13,5-3-8)9-12-6-7-16-9/h6-8H,1-5H2,(H,14,15)
InChIKeyOCHOVDXDBLIPTO-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 67257074) is 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1C2CCCC1(c1nccs1)CC2.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is OCHOVDXDBLIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10(15)13-8-2-1-4-11(13,5-3-8)9-12-6-7-16-9/h6-8H,1-5H2,(H,14,15).
What are the key properties of 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 238.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 67257074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).