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

C13H6BrClN4OS — CID 662159

IUPAC6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C13H6BrClN4OS/c14-10-6-5-9(20-10)12-18-19-11(16-17-13(19)21-12)7-3-1-2-4-8(7)15/h1-6H
InChIKeyZIELXTKUNKBKOK-UHFFFAOYSA-N
MW381.64 g/mol
LogP4.53
Rot. Bonds2

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

6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662159) has the molecular formula C13H6BrClN4OS and a molecular weight of 381.64 g/mol. Its IUPAC name is 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662159
Molecular FormulaC13H6BrClN4OS
Molecular Weight381.64 g/mol
Exact Mass379.91
IUPAC Name6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C13H6BrClN4OS/c14-10-6-5-9(20-10)12-18-19-11(16-17-13(19)21-12)7-3-1-2-4-8(7)15/h1-6H
InChIKeyZIELXTKUNKBKOK-UHFFFAOYSA-N
XLogP4.53
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661566
3-(2-Chlorophenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662518
6-(5-Bromofuran-2-yl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664946
6-(5-Bromofuran-2-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665202
3-(2-Furyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937168
6-(5-(4-Chloro-3-(trifluoromethyl)phenyl)furan-2-yl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664177
6-[5-(4-Chlorophenyl)furan-2-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1034418
3-(2-Furyl)-6-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934700
3-Benzyl-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848717
3-(2-Chlorophenyl)-6-(furan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 73353389
3-(2-Furyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 933903
3-(2,4-Dichlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661697

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662159) is 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12.
What is the InChIKey of 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZIELXTKUNKBKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClN4OS/c14-10-6-5-9(20-10)12-18-19-11(16-17-13(19)21-12)7-3-1-2-4-8(7)15/h1-6H.
What are the key properties of 6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-bromofuran-2-yl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 381.64 g/mol, XLogP of 4.53, 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-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).