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

C11H12N2OS — CID 63803907

IUPAC2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)Sc1nc2ccccn2c1C=O
InChIInChI=1S/C11H12N2OS/c1-8(2)15-11-9(7-14)13-6-4-3-5-10(13)12-11/h3-8H,1-2H3
InChIKeyVCUYJNUXCTUPFQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.65
Rot. Bonds3

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

2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 63803907) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID63803907
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)Sc1nc2ccccn2c1C=O
InChIInChI=1S/C11H12N2OS/c1-8(2)15-11-9(7-14)13-6-4-3-5-10(13)12-11/h3-8H,1-2H3
InChIKeyVCUYJNUXCTUPFQ-UHFFFAOYSA-N
XLogP2.65
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.65
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-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 63803907) is 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)Sc1nc2ccccn2c1C=O.
What is the InChIKey of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is VCUYJNUXCTUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8(2)15-11-9(7-14)13-6-4-3-5-10(13)12-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 220.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 63803907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).