4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine

C17H16N2OS2 — CID 22117354

IUPAC4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine
SMILESCc1c(SCc2ccco2)ccnc1CSc1ccncc1
InChIInChI=1S/C17H16N2OS2/c1-13-16(12-21-15-4-7-18-8-5-15)19-9-6-17(13)22-11-14-3-2-10-20-14/h2-10H,11-12H2,1H3
InChIKeyGQFWWDJPKXPTLN-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.96
Rot. Bonds6

About 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine

4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine (PubChem CID 22117354) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine
PubChem CID22117354
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine
SMILESCc1c(SCc2ccco2)ccnc1CSc1ccncc1
InChIInChI=1S/C17H16N2OS2/c1-13-16(12-21-15-4-7-18-8-5-15)19-9-6-17(13)22-11-14-3-2-10-20-14/h2-10H,11-12H2,1H3
InChIKeyGQFWWDJPKXPTLN-UHFFFAOYSA-N
XLogP4.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine (CID 22117354) is 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine is Cc1c(SCc2ccco2)ccnc1CSc1ccncc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine?
The InChIKey is GQFWWDJPKXPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-13-16(12-21-15-4-7-18-8-5-15)19-9-6-17(13)22-11-14-3-2-10-20-14/h2-10H,11-12H2,1H3.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine?
4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine has a molecular weight of 328.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 22117354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).