2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

C11H14N2OS — CID 511742

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
SMILESCc1cccc2ncc(CSCCO)n12
InChIInChI=1S/C11H14N2OS/c1-9-3-2-4-11-12-7-10(13(9)11)8-15-6-5-14/h2-4,7,14H,5-6,8H2,1H3
InChIKeyYJVDGBYSUZDTHR-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.87
Rot. Bonds4

About 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol (PubChem CID 511742) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
PubChem CID511742
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
SMILESCc1cccc2ncc(CSCCO)n12
InChIInChI=1S/C11H14N2OS/c1-9-3-2-4-11-12-7-10(13(9)11)8-15-6-5-14/h2-4,7,14H,5-6,8H2,1H3
InChIKeyYJVDGBYSUZDTHR-UHFFFAOYSA-N
XLogP1.87
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol (CID 511742) is 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol is Cc1cccc2ncc(CSCCO)n12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The InChIKey is YJVDGBYSUZDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9-3-2-4-11-12-7-10(13(9)11)8-15-6-5-14/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol has a molecular weight of 222.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 511742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).