2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

C16H14N2OS — CID 63804235

IUPAC2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(C)c(Sc2nc3ccccn3c2C=O)c1
InChIInChI=1S/C16H14N2OS/c1-11-6-7-12(2)14(9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3
InChIKeyDYTDJQULZWMFLB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.91
Rot. Bonds3

About 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 63804235) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID63804235
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(C)c(Sc2nc3ccccn3c2C=O)c1
InChIInChI=1S/C16H14N2OS/c1-11-6-7-12(2)14(9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3
InChIKeyDYTDJQULZWMFLB-UHFFFAOYSA-N
XLogP3.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 63804235) is 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccc(C)c(Sc2nc3ccccn3c2C=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DYTDJQULZWMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-6-7-12(2)14(9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 282.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 63804235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).