3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

C11H8N4OS — CID 46361414

IUPAC3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnccn3)n2)s1
InChIInChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3
InChIKeyCBFXBXXTLIMBFF-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.56
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 46361414) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID46361414
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnccn3)n2)s1
InChIInChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3
InChIKeyCBFXBXXTLIMBFF-UHFFFAOYSA-N
XLogP2.56
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 46361414) is 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3cnccn3)n2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is CBFXBXXTLIMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 244.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).