2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine

C20H17NOS2 — CID 46224890

IUPAC2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(-c3cc(C)sc3C)c2)o1
InChIInChI=1S/C20H17NOS2/c1-12-6-7-19(22-12)15-10-17(16-9-13(2)24-14(16)3)21-18(11-15)20-5-4-8-23-20/h4-11H,1-3H3
InChIKeyXVJAYPCHSYGLRL-UHFFFAOYSA-N
MW351.50 g/mol
LogP6.72
Rot. Bonds3

About 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine

2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine (PubChem CID 46224890) has the molecular formula C20H17NOS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine
PubChem CID46224890
Molecular FormulaC20H17NOS2
Molecular Weight351.50 g/mol
Exact Mass351.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(-c3cc(C)sc3C)c2)o1
InChIInChI=1S/C20H17NOS2/c1-12-6-7-19(22-12)15-10-17(16-9-13(2)24-14(16)3)21-18(11-15)20-5-4-8-23-20/h4-11H,1-3H3
InChIKeyXVJAYPCHSYGLRL-UHFFFAOYSA-N
XLogP6.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine (CID 46224890) is 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine is Cc1ccc(-c2cc(-c3cccs3)nc(-c3cc(C)sc3C)c2)o1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine?
The InChIKey is XVJAYPCHSYGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS2/c1-12-6-7-19(22-12)15-10-17(16-9-13(2)24-14(16)3)21-18(11-15)20-5-4-8-23-20/h4-11H,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine?
2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine has a molecular weight of 351.50 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine is sourced from PubChem (CID 46224890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).