2,5-dithiophen-2-yl-1,3,4-oxadiazole

C10H6N2OS2 — CID 863678

IUPAC2,5-dithiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C10H6N2OS2/c1-3-7(14-5-1)9-11-12-10(13-9)8-4-2-6-15-8/h1-6H
InChIKeyNSEQPFDDIHMPDU-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.53
Rot. Bonds2

About 2,5-dithiophen-2-yl-1,3,4-oxadiazole

2,5-dithiophen-2-yl-1,3,4-oxadiazole (PubChem CID 863678) has the molecular formula C10H6N2OS2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-1,3,4-oxadiazole
PubChem CID863678
Molecular FormulaC10H6N2OS2
Molecular Weight234.31 g/mol
Exact Mass233.99
IUPAC Name2,5-dithiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C10H6N2OS2/c1-3-7(14-5-1)9-11-12-10(13-9)8-4-2-6-15-8/h1-6H
InChIKeyNSEQPFDDIHMPDU-UHFFFAOYSA-N
XLogP3.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2,5-dithiophen-2-yl-1,3,4-oxadiazole (CID 863678) is 2,5-dithiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-dithiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-dithiophen-2-yl-1,3,4-oxadiazole is c1csc(-c2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 2,5-dithiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is NSEQPFDDIHMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS2/c1-3-7(14-5-1)9-11-12-10(13-9)8-4-2-6-15-8/h1-6H.
What are the key properties of 2,5-dithiophen-2-yl-1,3,4-oxadiazole?
2,5-dithiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 234.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 863678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).