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

C20H17NOS2 — CID 46224891

IUPAC2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccsc3)nc(-c3cc(C)sc3C)c2)o1
InChIInChI=1S/C20H17NOS2/c1-12-4-5-20(22-12)16-9-18(15-6-7-23-11-15)21-19(10-16)17-8-13(2)24-14(17)3/h4-11H,1-3H3
InChIKeyGYHAJBCSGSKUBJ-UHFFFAOYSA-N
MW351.50 g/mol
LogP6.72
Rot. Bonds3

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

2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine (PubChem CID 46224891) 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-3-ylpyridine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine
PubChem CID46224891
Molecular FormulaC20H17NOS2
Molecular Weight351.50 g/mol
Exact Mass351.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccsc3)nc(-c3cc(C)sc3C)c2)o1
InChIInChI=1S/C20H17NOS2/c1-12-4-5-20(22-12)16-9-18(15-6-7-23-11-15)21-19(10-16)17-8-13(2)24-14(17)3/h4-11H,1-3H3
InChIKeyGYHAJBCSGSKUBJ-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-3-ylpyridine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine (CID 46224891) is 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine is Cc1ccc(-c2cc(-c3ccsc3)nc(-c3cc(C)sc3C)c2)o1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine?
The InChIKey is GYHAJBCSGSKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS2/c1-12-4-5-20(22-12)16-9-18(15-6-7-23-11-15)21-19(10-16)17-8-13(2)24-14(17)3/h4-11H,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-ylpyridine?
2-(2,5-dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-3-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-3-ylpyridine is sourced from PubChem (CID 46224891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).