6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H6Br2N4OS — CID 2047996

IUPAC6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1
InChIInChI=1S/C13H6Br2N4OS/c14-8-3-1-7(2-4-8)11-16-17-13-19(11)18-12(21-13)9-5-6-10(15)20-9/h1-6H
InChIKeyOEBLRRBDXZBLMS-UHFFFAOYSA-N
MW426.09 g/mol
LogP4.64
Rot. Bonds2

About 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 2047996) has the molecular formula C13H6Br2N4OS and a molecular weight of 426.09 g/mol. Its IUPAC name is 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID2047996
Molecular FormulaC13H6Br2N4OS
Molecular Weight426.09 g/mol
Exact Mass423.86
IUPAC Name6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1
InChIInChI=1S/C13H6Br2N4OS/c14-8-3-1-7(2-4-8)11-16-17-13-19(11)18-12(21-13)9-5-6-10(15)20-9/h1-6H
InChIKeyOEBLRRBDXZBLMS-UHFFFAOYSA-N
XLogP4.64
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.09
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(4-chlorophenyl)furan-2-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4840957
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CID 25239862
3-(4-bromophenyl)-6-[2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinolin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18871225
3-(4-tert-butylphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936948
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CID 10741695
4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
CID 4970267
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CID 11840636
3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 655862
6-(3,5-ditert-butylphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313666
3-(3-bromophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 24824887
6-(1,3-benzodioxol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 2047996) is 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Brc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1.
What is the InChIKey of 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OEBLRRBDXZBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2N4OS/c14-8-3-1-7(2-4-8)11-16-17-13-19(11)18-12(21-13)9-5-6-10(15)20-9/h1-6H.
What are the key properties of 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 426.09 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-2-yl)-3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 2047996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).