4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole

C14H8N2O2S — CID 71261032

IUPAC4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole
SMILESc1coc(-c2ccc(-c3ccco3)c3nsnc23)c1
InChIInChI=1S/C14H8N2O2S/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChIKeyBJEBVQSFQBACNV-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.21
Rot. Bonds2

About 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole

4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole (PubChem CID 71261032) has the molecular formula C14H8N2O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole
PubChem CID71261032
Molecular FormulaC14H8N2O2S
Molecular Weight268.30 g/mol
Exact Mass268.03
IUPAC Name4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole
SMILESc1coc(-c2ccc(-c3ccco3)c3nsnc23)c1
InChIInChI=1S/C14H8N2O2S/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChIKeyBJEBVQSFQBACNV-UHFFFAOYSA-N
XLogP4.21
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole (CID 71261032) is 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole is c1coc(-c2ccc(-c3ccco3)c3nsnc23)c1.
What is the InChIKey of 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is BJEBVQSFQBACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H.
What are the key properties of 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole?
4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 268.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(furan-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 71261032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).