2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde

C13H14N2OS — CID 117134266

IUPAC2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(C3CCCCS3)nc2c1
InChIInChI=1S/C13H14N2OS/c16-9-10-4-5-15-8-11(14-13(15)7-10)12-3-1-2-6-17-12/h4-5,7-9,12H,1-3,6H2
InChIKeyZEXUZTPMJRNBTM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.11
Rot. Bonds2

About 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde

2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 117134266) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID117134266
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(C3CCCCS3)nc2c1
InChIInChI=1S/C13H14N2OS/c16-9-10-4-5-15-8-11(14-13(15)7-10)12-3-1-2-6-17-12/h4-5,7-9,12H,1-3,6H2
InChIKeyZEXUZTPMJRNBTM-UHFFFAOYSA-N
XLogP3.11
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(thian-2-yl)imidazo[1,2-a]pyridine
CID 117134294
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
2-(thian-2-yl)imidazo[1,2-a]pyridin-8-ol
CID 117136589
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 82387551
8-methyl-2-(thiolan-2-yl)imidazo[1,2-a]pyridine
CID 117136459
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133885
2-(thian-2-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131964
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117135256
2-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034

Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 117134266) is 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde is O=Cc1ccn2cc(C3CCCCS3)nc2c1.
What is the InChIKey of 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is ZEXUZTPMJRNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-9-10-4-5-15-8-11(14-13(15)7-10)12-3-1-2-6-17-12/h4-5,7-9,12H,1-3,6H2.
What are the key properties of 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117134266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).