2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid

C13H14N2O2S — CID 117131964

IUPAC2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3CCCCS3)cn12
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-4-3-6-12-14-9(8-15(10)12)11-5-1-2-7-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17)
InChIKeyFULWLYQFPIHRIN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.99
Rot. Bonds2

About 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid

2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117131964) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117131964
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3CCCCS3)cn12
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-4-3-6-12-14-9(8-15(10)12)11-5-1-2-7-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17)
InChIKeyFULWLYQFPIHRIN-UHFFFAOYSA-N
XLogP2.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid (CID 117131964) is 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(C3CCCCS3)cn12.
What is the InChIKey of 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is FULWLYQFPIHRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)10-4-3-6-12-14-9(8-15(10)12)11-5-1-2-7-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17).
What are the key properties of 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid?
2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117131964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).