2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde

C13H14N2OS — CID 117129769

IUPAC2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCCS3)cn2c1
InChIInChI=1S/C13H14N2OS/c16-9-10-3-4-13-14-11(8-15(13)7-10)6-12-2-1-5-17-12/h3-4,7-9,12H,1-2,5-6H2
InChIKeyONINUUZAXWMIBW-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.58
Rot. Bonds3

About 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde

2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117129769) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117129769
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCCS3)cn2c1
InChIInChI=1S/C13H14N2OS/c16-9-10-3-4-13-14-11(8-15(13)7-10)6-12-2-1-5-17-12/h3-4,7-9,12H,1-2,5-6H2
InChIKeyONINUUZAXWMIBW-UHFFFAOYSA-N
XLogP2.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117134556
2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452
8-methyl-2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136718
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130313
2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130318
2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117129235

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117129769) is 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(CC3CCCS3)cn2c1.
What is the InChIKey of 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is ONINUUZAXWMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-9-10-3-4-13-14-11(8-15(13)7-10)6-12-2-1-5-17-12/h3-4,7-9,12H,1-2,5-6H2.
What are the key properties of 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117129769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).