2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

C11H12N2O2S — CID 61358940

IUPAC2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-7(2)16-10-9(11(14)15)13-6-4-3-5-8(13)12-10/h3-7H,1-2H3,(H,14,15)
InChIKeyYSLWMNGSCBBLSR-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.53
Rot. Bonds3

About 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61358940) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61358940
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-7(2)16-10-9(11(14)15)13-6-4-3-5-8(13)12-10/h3-7H,1-2H3,(H,14,15)
InChIKeyYSLWMNGSCBBLSR-UHFFFAOYSA-N
XLogP2.53
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360298
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 55259386
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 107747175
2-[ethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477884
2-(1-ethoxypropan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 103487173
2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 107645118
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54994779
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 61358940) is 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)Sc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YSLWMNGSCBBLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)16-10-9(11(14)15)13-6-4-3-5-8(13)12-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61358940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).