5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole

C10H5BrN2OS — CID 102943393

IUPAC5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(-c2coc3ccccc23)n1
InChIInChI=1S/C10H5BrN2OS/c11-10-12-9(15-13-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H
InChIKeyNTLNWGKUVATFEW-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.71
Rot. Bonds1

About 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole

5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole (PubChem CID 102943393) has the molecular formula C10H5BrN2OS and a molecular weight of 281.13 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
PubChem CID102943393
Molecular FormulaC10H5BrN2OS
Molecular Weight281.13 g/mol
Exact Mass279.93
IUPAC Name5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(-c2coc3ccccc23)n1
InChIInChI=1S/C10H5BrN2OS/c11-10-12-9(15-13-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H
InChIKeyNTLNWGKUVATFEW-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole?
The IUPAC name of 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole (CID 102943393) is 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole is Brc1nsc(-c2coc3ccccc23)n1.
What is the InChIKey of 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole?
The InChIKey is NTLNWGKUVATFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2OS/c11-10-12-9(15-13-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole?
5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole has a molecular weight of 281.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole is sourced from PubChem (CID 102943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).