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

C13H7BrN4OS — CID 73347274

IUPAC3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C13H7BrN4OS/c14-10-3-1-8(2-4-10)11-15-16-13-18(11)17-12(20-13)9-5-6-19-7-9/h1-7H
InChIKeyQYCOFCLOPMEREV-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.88
Rot. Bonds2

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

3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 73347274) has the molecular formula C13H7BrN4OS and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID73347274
Molecular FormulaC13H7BrN4OS
Molecular Weight347.20 g/mol
Exact Mass345.95
IUPAC Name3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C13H7BrN4OS/c14-10-3-1-8(2-4-10)11-15-16-13-18(11)17-12(20-13)9-5-6-19-7-9/h1-7H
InChIKeyQYCOFCLOPMEREV-UHFFFAOYSA-N
XLogP3.88
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 73347274) is 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Brc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is QYCOFCLOPMEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4OS/c14-10-3-1-8(2-4-10)11-15-16-13-18(11)17-12(20-13)9-5-6-19-7-9/h1-7H.
What are the key properties of 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 347.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 73347274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).