1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine

C10H9N3OS2 — CID 80746127

IUPAC1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(-c2cc3sccc3s2)n1
InChIInChI=1S/C10H9N3OS2/c1-5(11)9-12-10(14-13-9)8-4-7-6(16-8)2-3-15-7/h2-5H,11H2,1H3
InChIKeyIYSNKEYFEDIPPV-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.03
Rot. Bonds2

About 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine

1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 80746127) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID80746127
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(-c2cc3sccc3s2)n1
InChIInChI=1S/C10H9N3OS2/c1-5(11)9-12-10(14-13-9)8-4-7-6(16-8)2-3-15-7/h2-5H,11H2,1H3
InChIKeyIYSNKEYFEDIPPV-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 80746127) is 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine is CC(N)c1noc(-c2cc3sccc3s2)n1.
What is the InChIKey of 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is IYSNKEYFEDIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-5(11)9-12-10(14-13-9)8-4-7-6(16-8)2-3-15-7/h2-5H,11H2,1H3.
What are the key properties of 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 80746127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).