6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine

C20H16N2OS2 — CID 122526729

IUPAC6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine
SMILESCc1cc(Sc2cc(-c3ccsc3)c(Nc3ccccc3)cn2)co1
InChIInChI=1S/C20H16N2OS2/c1-14-9-17(12-23-14)25-20-10-18(15-7-8-24-13-15)19(11-21-20)22-16-5-3-2-4-6-16/h2-13,22H,1H3
InChIKeyNTYGLTJPNQLRID-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.61
Rot. Bonds5

About 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine

6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine (PubChem CID 122526729) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine.

Molecular Properties

Compound Name6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine
PubChem CID122526729
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine
SMILESCc1cc(Sc2cc(-c3ccsc3)c(Nc3ccccc3)cn2)co1
InChIInChI=1S/C20H16N2OS2/c1-14-9-17(12-23-14)25-20-10-18(15-7-8-24-13-15)19(11-21-20)22-16-5-3-2-4-6-16/h2-13,22H,1H3
InChIKeyNTYGLTJPNQLRID-UHFFFAOYSA-N
XLogP6.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine?
The IUPAC name of 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine (CID 122526729) is 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine.
What is the SMILES notation for 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine?
The canonical SMILES for 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine is Cc1cc(Sc2cc(-c3ccsc3)c(Nc3ccccc3)cn2)co1.
What is the InChIKey of 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine?
The InChIKey is NTYGLTJPNQLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-14-9-17(12-23-14)25-20-10-18(15-7-8-24-13-15)19(11-21-20)22-16-5-3-2-4-6-16/h2-13,22H,1H3.
What are the key properties of 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine?
6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine has a molecular weight of 364.50 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine is sourced from PubChem (CID 122526729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).