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

C12H16N2O2S — CID 117154665

IUPAC2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCSC3)cn21
InChIInChI=1S/C12H16N2O2S/c15-12(16)10-2-1-3-11-13-9(6-14(10)11)8-4-5-17-7-8/h6,8,10H,1-5,7H2,(H,15,16)
InChIKeyGBXKGDMMSODVST-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.07
Rot. Bonds2

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

2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117154665) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117154665
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCSC3)cn21
InChIInChI=1S/C12H16N2O2S/c15-12(16)10-2-1-3-11-13-9(6-14(10)11)8-4-5-17-7-8/h6,8,10H,1-5,7H2,(H,15,16)
InChIKeyGBXKGDMMSODVST-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
CID 117155187
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154692
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154718
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128228
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154843
2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128276
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 115003566
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154693
2-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
CID 117155836
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154691
2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154857
methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117135873

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (CID 117154665) is 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nc(C3CCSC3)cn21.
What is the InChIKey of 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is GBXKGDMMSODVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(16)10-2-1-3-11-13-9(6-14(10)11)8-4-5-17-7-8/h6,8,10H,1-5,7H2,(H,15,16).
What are the key properties of 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 252.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117154665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).