2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine

C14H14N2OS — CID 2997638

IUPAC2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSCc3ccco3)cn12
InChIInChI=1S/C14H14N2OS/c1-11-4-2-6-14-15-12(8-16(11)14)9-18-10-13-5-3-7-17-13/h2-8H,9-10H2,1H3
InChIKeyCYWMXGBFAQKKHN-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.67
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine

2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine (PubChem CID 2997638) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
PubChem CID2997638
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSCc3ccco3)cn12
InChIInChI=1S/C14H14N2OS/c1-11-4-2-6-14-15-12(8-16(11)14)9-18-10-13-5-3-7-17-13/h2-8H,9-10H2,1H3
InChIKeyCYWMXGBFAQKKHN-UHFFFAOYSA-N
XLogP3.67
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine (CID 2997638) is 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine is Cc1cccc2nc(CSCc3ccco3)cn12.
What is the InChIKey of 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The InChIKey is CYWMXGBFAQKKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-4-2-6-14-15-12(8-16(11)14)9-18-10-13-5-3-7-17-13/h2-8H,9-10H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine has a molecular weight of 258.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 2997638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).