8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine

C13H16N2S — CID 117135947

IUPAC8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(C3CCSCC3)nc12
InChIInChI=1S/C13H16N2S/c1-10-3-2-6-15-9-12(14-13(10)15)11-4-7-16-8-5-11/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyRPEHLXNSUUYHLC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.25
Rot. Bonds1

About 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine

8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine (PubChem CID 117135947) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine
PubChem CID117135947
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(C3CCSCC3)nc12
InChIInChI=1S/C13H16N2S/c1-10-3-2-6-15-9-12(14-13(10)15)11-4-7-16-8-5-11/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyRPEHLXNSUUYHLC-UHFFFAOYSA-N
XLogP3.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine (CID 117135947) is 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine is Cc1cccn2cc(C3CCSCC3)nc12.
What is the InChIKey of 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is RPEHLXNSUUYHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-2-6-15-9-12(14-13(10)15)11-4-7-16-8-5-11/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 232.35 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117135947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).