2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

C8H8N2OS2 — CID 646055

IUPAC2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C8H8N2OS2/c1-2-12-8-10-9-7(11-8)6-4-3-5-13-6/h3-5H,2H2,1H3
InChIKeyUUHWQIJNRVYPJA-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.91
Rot. Bonds3

About 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 646055) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID646055
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C8H8N2OS2/c1-2-12-8-10-9-7(11-8)6-4-3-5-13-6/h3-5H,2H2,1H3
InChIKeyUUHWQIJNRVYPJA-UHFFFAOYSA-N
XLogP2.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 646055) is 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is CCSc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is UUHWQIJNRVYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-2-12-8-10-9-7(11-8)6-4-3-5-13-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 212.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 646055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).