2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

C12H8N2OS2 — CID 6263817

IUPAC2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1cccs1)\c1nnc(-c2cccs2)o1
InChIInChI=1S/C12H8N2OS2/c1-3-9(16-7-1)5-6-11-13-14-12(15-11)10-4-2-8-17-10/h1-8H/b6-5+
InChIKeyATTAMZJQOVRIKQ-AATRIKPKSA-N
MW260.34 g/mol
LogP4.03
Rot. Bonds3

About 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (PubChem CID 6263817) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
PubChem CID6263817
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1cccs1)\c1nnc(-c2cccs2)o1
InChIInChI=1S/C12H8N2OS2/c1-3-9(16-7-1)5-6-11-13-14-12(15-11)10-4-2-8-17-10/h1-8H/b6-5+
InChIKeyATTAMZJQOVRIKQ-AATRIKPKSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (CID 6263817) is 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is C(=C/c1cccs1)\c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The InChIKey is ATTAMZJQOVRIKQ-AATRIKPKSA-N. The full InChI is InChI=1S/C12H8N2OS2/c1-3-9(16-7-1)5-6-11-13-14-12(15-11)10-4-2-8-17-10/h1-8H/b6-5+.
What are the key properties of 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 6263817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).