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

C18H8Cl3N5S — CID 24829297

IUPAC6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5ncccc45)nn23)c1
InChIInChI=1S/C18H8Cl3N5S/c19-9-7-12(15(21)13(20)8-9)16-23-24-18-26(16)25-17(27-18)11-3-1-5-14-10(11)4-2-6-22-14/h1-8H
InChIKeyQYYNPUZEUKYEBE-UHFFFAOYSA-N
MW432.72 g/mol
LogP6.03
Rot. Bonds2

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

6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 24829297) has the molecular formula C18H8Cl3N5S and a molecular weight of 432.72 g/mol. Its IUPAC name is 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID24829297
Molecular FormulaC18H8Cl3N5S
Molecular Weight432.72 g/mol
Exact Mass430.96
IUPAC Name6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5ncccc45)nn23)c1
InChIInChI=1S/C18H8Cl3N5S/c19-9-7-12(15(21)13(20)8-9)16-23-24-18-26(16)25-17(27-18)11-3-1-5-14-10(11)4-2-6-22-14/h1-8H
InChIKeyQYYNPUZEUKYEBE-UHFFFAOYSA-N
XLogP6.03
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 24829297) is 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5ncccc45)nn23)c1.
What is the InChIKey of 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is QYYNPUZEUKYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl3N5S/c19-9-7-12(15(21)13(20)8-9)16-23-24-18-26(16)25-17(27-18)11-3-1-5-14-10(11)4-2-6-22-14/h1-8H.
What are the key properties of 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 432.72 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 24829297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).