2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid

C11H12N2O2S — CID 102625233

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1cccc2nccn12)C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyLGUPMDXLUWJDEL-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.29
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid

2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid (PubChem CID 102625233) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
PubChem CID102625233
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1cccc2nccn12)C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyLGUPMDXLUWJDEL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
CID 102625220
1-imidazo[1,2-a]pyridin-5-ylethanone
CID 82596119
2-(imidazo[1,2-a]pyridin-5-ylamino)-2-phenylpropan-1-ol
CID 102625866
tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10520632
2-(imidazo[1,2-a]pyridin-5-ylamino)acetic acid
CID 162696041
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
CID 76849265
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717
propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride
CID 23362877
2-imidazo[1,2-a]pyridin-5-ylpentanoic acid
CID 102626945
1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
CID 158015272
2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
CID 67794030
imidazo[1,2-a]pyridin-5-yl-(4-methylphenyl)methanone
CID 175985100

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid (CID 102625233) is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid is CC(C)(Sc1cccc2nccn12)C(=O)O.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The InChIKey is LGUPMDXLUWJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid has a molecular weight of 236.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 102625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).