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

C13H7ClN4OS — CID 662518

IUPAC3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nnc2sc(-c3ccco3)nn12
InChIInChI=1S/C13H7ClN4OS/c14-9-5-2-1-4-8(9)11-15-16-13-18(11)17-12(20-13)10-6-3-7-19-10/h1-7H
InChIKeyHEGNKHUTABGUJG-UHFFFAOYSA-N
MW302.75 g/mol
LogP3.77
Rot. Bonds2

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

3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662518) has the molecular formula C13H7ClN4OS and a molecular weight of 302.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662518
Molecular FormulaC13H7ClN4OS
Molecular Weight302.75 g/mol
Exact Mass302.00
IUPAC Name3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nnc2sc(-c3ccco3)nn12
InChIInChI=1S/C13H7ClN4OS/c14-9-5-2-1-4-8(9)11-15-16-13-18(11)17-12(20-13)10-6-3-7-19-10/h1-7H
InChIKeyHEGNKHUTABGUJG-UHFFFAOYSA-N
XLogP3.77
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662518) is 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccccc1-c1nnc2sc(-c3ccco3)nn12.
What is the InChIKey of 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HEGNKHUTABGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4OS/c14-9-5-2-1-4-8(9)11-15-16-13-18(11)17-12(20-13)10-6-3-7-19-10/h1-7H.
What are the key properties of 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 302.75 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).