2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

C16H14N2O2S — CID 61360298

IUPAC2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(Sc2nc3ccccn3c2C(=O)O)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-6-7-12(9-11(10)2)21-15-14(16(19)20)18-8-4-3-5-13(18)17-15/h3-9H,1-2H3,(H,19,20)
InChIKeyXNTDXHAPPNNICQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.80
Rot. Bonds3

About 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61360298) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61360298
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(Sc2nc3ccccn3c2C(=O)O)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-6-7-12(9-11(10)2)21-15-14(16(19)20)18-8-4-3-5-13(18)17-15/h3-9H,1-2H3,(H,19,20)
InChIKeyXNTDXHAPPNNICQ-UHFFFAOYSA-N
XLogP3.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24628591
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 55259386
2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 107747175
2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63529012
2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63528502
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
CID 169493027
2-[(4-methyl-3-pyridinyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63327723
2-(2-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 135044398

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 61360298) is 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccc(Sc2nc3ccccn3c2C(=O)O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is XNTDXHAPPNNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-6-7-12(9-11(10)2)21-15-14(16(19)20)18-8-4-3-5-13(18)17-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61360298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).