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

C12H14N2O2S — CID 61357572

IUPAC2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(C)Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C12H14N2O2S/c1-3-8(2)17-11-10(12(15)16)14-7-5-4-6-9(14)13-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyFNJQPUNYFSOTIV-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds4

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

2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61357572) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61357572
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(C)Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C12H14N2O2S/c1-3-8(2)17-11-10(12(15)16)14-7-5-4-6-9(14)13-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyFNJQPUNYFSOTIV-UHFFFAOYSA-N
XLogP2.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803177
N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63805879
2-[ethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477884
2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 55259386
2-(1-ethoxypropan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 103487173
(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
CID 169493027
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360298
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-(pent-1-yn-3-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114161382
2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61451416

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 61357572) is 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is CCC(C)Sc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FNJQPUNYFSOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-8(2)17-11-10(12(15)16)14-7-5-4-6-9(14)13-11/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61357572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).