2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine

C20H20N2O2S2 — CID 122673594

IUPAC2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine
SMILESCCOc1cc(Sc2cc(-c3ccco3)c(C3C=CCCN3)cn2)cs1
InChIInChI=1S/C20H20N2O2S2/c1-2-23-20-10-14(13-25-20)26-19-11-15(18-7-5-9-24-18)16(12-22-19)17-6-3-4-8-21-17/h3,5-7,9-13,17,21H,2,4,8H2,1H3
InChIKeyPTPLDJXMOIXUSW-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.54
Rot. Bonds6

About 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine

2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine (PubChem CID 122673594) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine.

Molecular Properties

Compound Name2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine
PubChem CID122673594
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine
SMILESCCOc1cc(Sc2cc(-c3ccco3)c(C3C=CCCN3)cn2)cs1
InChIInChI=1S/C20H20N2O2S2/c1-2-23-20-10-14(13-25-20)26-19-11-15(18-7-5-9-24-18)16(12-22-19)17-6-3-4-8-21-17/h3,5-7,9-13,17,21H,2,4,8H2,1H3
InChIKeyPTPLDJXMOIXUSW-UHFFFAOYSA-N
XLogP5.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine?
The IUPAC name of 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine (CID 122673594) is 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine.
What is the SMILES notation for 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine?
The canonical SMILES for 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine is CCOc1cc(Sc2cc(-c3ccco3)c(C3C=CCCN3)cn2)cs1.
What is the InChIKey of 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine?
The InChIKey is PTPLDJXMOIXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-2-23-20-10-14(13-25-20)26-19-11-15(18-7-5-9-24-18)16(12-22-19)17-6-3-4-8-21-17/h3,5-7,9-13,17,21H,2,4,8H2,1H3.
What are the key properties of 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine?
2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine has a molecular weight of 384.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine is sourced from PubChem (CID 122673594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).