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

C10H9N3OS2 — CID 80746041

IUPAC2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C10H9N3OS2/c11-3-1-9-12-13-10(14-9)8-5-7-6(16-8)2-4-15-7/h2,4-5H,1,3,11H2
InChIKeyWFUOFLWCQPBLBS-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.51
Rot. Bonds3

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

2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 80746041) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID80746041
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C10H9N3OS2/c11-3-1-9-12-13-10(14-9)8-5-7-6(16-8)2-4-15-7/h2,4-5H,1,3,11H2
InChIKeyWFUOFLWCQPBLBS-UHFFFAOYSA-N
XLogP2.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 80745146
2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81104678
(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine
CID 80740070
2-thieno[3,2-b]thiophen-5-ylethanamine
CID 170868981
2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82670303
3-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 170868168
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62277864
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65100446
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 80746127

Frequently Asked Questions

What is the IUPAC name of 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 80746041) is 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is NCCc1nnc(-c2cc3sccc3s2)o1.
What is the InChIKey of 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is WFUOFLWCQPBLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c11-3-1-9-12-13-10(14-9)8-5-7-6(16-8)2-4-15-7/h2,4-5H,1,3,11H2.
What are the key properties of 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 80746041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).