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

C12H15NO2S — CID 67257259

IUPAC3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCC1CC(c1nccs1)C2
InChIInChI=1S/C12H15NO2S/c14-12(15)10-7-1-2-8(10)6-9(5-7)11-13-3-4-16-11/h3-4,7-10H,1-2,5-6H2,(H,14,15)
InChIKeyOCCPDTVLVLBYQX-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.75
Rot. Bonds2

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

3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 67257259) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID67257259
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCC1CC(c1nccs1)C2
InChIInChI=1S/C12H15NO2S/c14-12(15)10-7-1-2-8(10)6-9(5-7)11-13-3-4-16-11/h3-4,7-10H,1-2,5-6H2,(H,14,15)
InChIKeyOCCPDTVLVLBYQX-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid (CID 67257259) is 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)C1C2CCC1CC(c1nccs1)C2.
What is the InChIKey of 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is OCCPDTVLVLBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(15)10-7-1-2-8(10)6-9(5-7)11-13-3-4-16-11/h3-4,7-10H,1-2,5-6H2,(H,14,15).
What are the key properties of 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid?
3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 237.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)bicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 67257259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).