5-thiophen-2-yl-1,2,4-oxadiazol-3-amine

C6H5N3OS — CID 12667607

IUPAC5-thiophen-2-yl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cccs2)n1
InChIInChI=1S/C6H5N3OS/c7-6-8-5(10-9-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKeyUGBIEXMLZABNKH-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.38
Rot. Bonds1

About 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine

5-thiophen-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 12667607) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID12667607
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name5-thiophen-2-yl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cccs2)n1
InChIInChI=1S/C6H5N3OS/c7-6-8-5(10-9-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKeyUGBIEXMLZABNKH-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine (CID 12667607) is 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine is Nc1noc(-c2cccs2)n1.
What is the InChIKey of 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is UGBIEXMLZABNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-6-8-5(10-9-6)4-2-1-3-11-4/h1-3H,(H2,7,9).
What are the key properties of 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine?
5-thiophen-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 167.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 12667607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).