2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid

C10H10N2O2S — CID 5144032

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSCc1cn2ccccc2n1
InChIInChI=1S/C10H10N2O2S/c13-10(14)7-15-6-8-5-12-4-2-1-3-9(12)11-8/h1-5H,6-7H2,(H,13,14)
InChIKeyZMUBWOVMXFJDAC-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.65
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid (PubChem CID 5144032) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid
PubChem CID5144032
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSCc1cn2ccccc2n1
InChIInChI=1S/C10H10N2O2S/c13-10(14)7-15-6-8-5-12-4-2-1-3-9(12)11-8/h1-5H,6-7H2,(H,13,14)
InChIKeyZMUBWOVMXFJDAC-UHFFFAOYSA-N
XLogP1.65
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid (CID 5144032) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid is O=C(O)CSCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid?
The InChIKey is ZMUBWOVMXFJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-10(14)7-15-6-8-5-12-4-2-1-3-9(12)11-8/h1-5H,6-7H2,(H,13,14).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)acetic acid has a molecular weight of 222.27 g/mol, XLogP of 1.65, 4 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-2-ylmethylsulfanyl)acetic acid is sourced from PubChem (CID 5144032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).