5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine

C20H16N2OS2 — CID 122526556

IUPAC5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine
SMILESCc1cc(Sc2cnc(Nc3ccccc3)c(-c3ccsc3)c2)co1
InChIInChI=1S/C20H16N2OS2/c1-14-9-18(12-23-14)25-17-10-19(15-7-8-24-13-15)20(21-11-17)22-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyONLYEUXIAZUZAH-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.61
Rot. Bonds5

About 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine

5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine (PubChem CID 122526556) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine
PubChem CID122526556
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine
SMILESCc1cc(Sc2cnc(Nc3ccccc3)c(-c3ccsc3)c2)co1
InChIInChI=1S/C20H16N2OS2/c1-14-9-18(12-23-14)25-17-10-19(15-7-8-24-13-15)20(21-11-17)22-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyONLYEUXIAZUZAH-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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine?
The IUPAC name of 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine (CID 122526556) is 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine is Cc1cc(Sc2cnc(Nc3ccccc3)c(-c3ccsc3)c2)co1.
What is the InChIKey of 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine?
The InChIKey is ONLYEUXIAZUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-14-9-18(12-23-14)25-17-10-19(15-7-8-24-13-15)20(21-11-17)22-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine?
5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-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 5-(5-methylfuran-3-yl)sulfanyl-N-phenyl-3-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 122526556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).