3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C13H14N2O2S — CID 83966446

IUPAC3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1c(-c2cccs2)nc2n1CC(C(=O)O)CC2
InChIInChI=1S/C13H14N2O2S/c1-8-12(10-3-2-6-18-10)14-11-5-4-9(13(16)17)7-15(8)11/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyXACWUVJWIHMKGD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.57
Rot. Bonds2

About 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 83966446) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID83966446
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1c(-c2cccs2)nc2n1CC(C(=O)O)CC2
InChIInChI=1S/C13H14N2O2S/c1-8-12(10-3-2-6-18-10)14-11-5-4-9(13(16)17)7-15(8)11/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyXACWUVJWIHMKGD-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-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

Related Compounds

2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966438
2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966445
3,5-dimethyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 83966276
6-methyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122083559
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147932
3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147818
3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494564
3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869830
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495387
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 83966446) is 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is Cc1c(-c2cccs2)nc2n1CC(C(=O)O)CC2.
What is the InChIKey of 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is XACWUVJWIHMKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-12(10-3-2-6-18-10)14-11-5-4-9(13(16)17)7-15(8)11/h2-3,6,9H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83966446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).