2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

C13H18N2O2S — CID 117154692

IUPAC2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(CC3CCSC3)cn21
InChIInChI=1S/C13H18N2O2S/c16-13(17)11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-18-8-9/h7,9,11H,1-6,8H2,(H,16,17)
InChIKeyVWCBTQSLIJEKEU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.14
Rot. Bonds3

About 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117154692) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117154692
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(CC3CCSC3)cn21
InChIInChI=1S/C13H18N2O2S/c16-13(17)11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-18-8-9/h7,9,11H,1-6,8H2,(H,16,17)
InChIKeyVWCBTQSLIJEKEU-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-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 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (CID 117154692) is 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nc(CC3CCSC3)cn21.
What is the InChIKey of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VWCBTQSLIJEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(17)11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-18-8-9/h7,9,11H,1-6,8H2,(H,16,17).
What are the key properties of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117154692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).