2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine

C11H12N2OS2 — CID 43262852

IUPAC2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
SMILESCCOc1nc(Sc2cccs2)ccc1N
InChIInChI=1S/C11H12N2OS2/c1-2-14-11-8(12)5-6-9(13-11)16-10-4-3-7-15-10/h3-7H,2,12H2,1H3
InChIKeyJJTQMBVYJUANBJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.28
Rot. Bonds4

About 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine

2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine (PubChem CID 43262852) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
PubChem CID43262852
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
SMILESCCOc1nc(Sc2cccs2)ccc1N
InChIInChI=1S/C11H12N2OS2/c1-2-14-11-8(12)5-6-9(13-11)16-10-4-3-7-15-10/h3-7H,2,12H2,1H3
InChIKeyJJTQMBVYJUANBJ-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine?
The IUPAC name of 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine (CID 43262852) is 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine?
The canonical SMILES for 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine is CCOc1nc(Sc2cccs2)ccc1N.
What is the InChIKey of 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine?
The InChIKey is JJTQMBVYJUANBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-2-14-11-8(12)5-6-9(13-11)16-10-4-3-7-15-10/h3-7H,2,12H2,1H3.
What are the key properties of 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine?
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 43262852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).