2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

C12H8N2OS2 — CID 55240670

IUPAC2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Sc2cccs2)nc2ccccn12
InChIInChI=1S/C12H8N2OS2/c15-8-9-12(17-11-5-3-7-16-11)13-10-4-1-2-6-14(9)10/h1-8H
InChIKeyGJYCIEQXNMJBFL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.36
Rot. Bonds3

About 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 55240670) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID55240670
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Sc2cccs2)nc2ccccn12
InChIInChI=1S/C12H8N2OS2/c15-8-9-12(17-11-5-3-7-16-11)13-10-4-1-2-6-14(9)10/h1-8H
InChIKeyGJYCIEQXNMJBFL-UHFFFAOYSA-N
XLogP3.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 55240670) is 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(Sc2cccs2)nc2ccccn12.
What is the InChIKey of 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is GJYCIEQXNMJBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-8-9-12(17-11-5-3-7-16-11)13-10-4-1-2-6-14(9)10/h1-8H.
What are the key properties of 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 55240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).