4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine

C18H13NOS2 — CID 46224812

IUPAC4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
SMILESCc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccsc2)n1
InChIInChI=1S/C18H13NOS2/c1-12-3-7-22-18(12)17-9-15(13-2-5-20-10-13)8-16(19-17)14-4-6-21-11-14/h2-11H,1H3
InChIKeyPAVGNYTXQXILSG-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.11
Rot. Bonds3

About 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine

4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine (PubChem CID 46224812) has the molecular formula C18H13NOS2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
PubChem CID46224812
Molecular FormulaC18H13NOS2
Molecular Weight323.44 g/mol
Exact Mass323.04
IUPAC Name4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
SMILESCc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccsc2)n1
InChIInChI=1S/C18H13NOS2/c1-12-3-7-22-18(12)17-9-15(13-2-5-20-10-13)8-16(19-17)14-4-6-21-11-14/h2-11H,1H3
InChIKeyPAVGNYTXQXILSG-UHFFFAOYSA-N
XLogP6.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine?
The IUPAC name of 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine (CID 46224812) is 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine?
The canonical SMILES for 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine is Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccsc2)n1.
What is the InChIKey of 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine?
The InChIKey is PAVGNYTXQXILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS2/c1-12-3-7-22-18(12)17-9-15(13-2-5-20-10-13)8-16(19-17)14-4-6-21-11-14/h2-11H,1H3.
What are the key properties of 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine?
4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine has a molecular weight of 323.44 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine is sourced from PubChem (CID 46224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).