3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine

C16H11N5OS — CID 67433176

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine
SMILESNc1ncc(-c2ccsc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11N5OS/c17-14-13(19-12(8-18-14)11-6-7-23-9-11)16-21-20-15(22-16)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
InChIKeyCEYFBJRNKMNNES-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.50
Rot. Bonds3

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine (PubChem CID 67433176) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine
PubChem CID67433176
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine
SMILESNc1ncc(-c2ccsc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11N5OS/c17-14-13(19-12(8-18-14)11-6-7-23-9-11)16-21-20-15(22-16)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
InChIKeyCEYFBJRNKMNNES-UHFFFAOYSA-N
XLogP3.50
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine (CID 67433176) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine is Nc1ncc(-c2ccsc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine?
The InChIKey is CEYFBJRNKMNNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-14-13(19-12(8-18-14)11-6-7-23-9-11)16-21-20-15(22-16)10-4-2-1-3-5-10/h1-9H,(H2,17,18).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine has a molecular weight of 321.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-thiophen-3-ylpyrazin-2-amine is sourced from PubChem (CID 67433176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).