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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618702
3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527113
2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888140
1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
4-(1-benzofuran-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867313
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
3-(4-methylphenyl)-1-benzofuran
CID 11160085
4-(1-benzofuran-3-yl)-2-(chloromethyl)-1,3-thiazole
CID 116867872
N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365059
1-benzofuran-3-amine
CID 18373424

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).