2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

C14H20N2O2S — CID 117155945

IUPAC2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2cc(CC3CCSCC3)nc2C1
InChIInChI=1S/C14H20N2O2S/c17-14(18)11-1-4-16-9-12(15-13(16)8-11)7-10-2-5-19-6-3-10/h9-11H,1-8H2,(H,17,18)
InChIKeySVJVVBDKQVBTOA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.22
Rot. Bonds3

About 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117155945) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117155945
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2cc(CC3CCSCC3)nc2C1
InChIInChI=1S/C14H20N2O2S/c17-14(18)11-1-4-16-9-12(15-13(16)8-11)7-10-2-5-19-6-3-10/h9-11H,1-8H2,(H,17,18)
InChIKeySVJVVBDKQVBTOA-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-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-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 117155945) is 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2cc(CC3CCSCC3)nc2C1.
What is the InChIKey of 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is SVJVVBDKQVBTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(18)11-1-4-16-9-12(15-13(16)8-11)7-10-2-5-19-6-3-10/h9-11H,1-8H2,(H,17,18).
What are the key properties of 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117155945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).