3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H10Cl2N4OS — CID 2021657

IUPAC3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccccc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C16H10Cl2N4OS/c1-23-13-5-3-2-4-11(13)15-21-22-14(19-20-16(22)24-15)10-7-6-9(17)8-12(10)18/h2-8H,1H3
InChIKeyYZDBOKNXMQGGNT-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.84
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 2021657) has the molecular formula C16H10Cl2N4OS and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID2021657
Molecular FormulaC16H10Cl2N4OS
Molecular Weight377.26 g/mol
Exact Mass376.00
IUPAC Name3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccccc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C16H10Cl2N4OS/c1-23-13-5-3-2-4-11(13)15-21-22-14(19-20-16(22)24-15)10-7-6-9(17)8-12(10)18/h2-8H,1H3
InChIKeyYZDBOKNXMQGGNT-UHFFFAOYSA-N
XLogP4.84
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-(3-chlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 933617
3-(5-chloro-2-methoxyphenyl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 26434308
3-(5-chloro-2-methoxyphenyl)-6-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16766991
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
3-(2-methoxyphenyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 938376
6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663393
6-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840496
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71702657
6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662903
3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-phenyl-1,2-oxazole
CID 42581500
3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569323

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 2021657) is 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccccc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is YZDBOKNXMQGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4OS/c1-23-13-5-3-2-4-11(13)15-21-22-14(19-20-16(22)24-15)10-7-6-9(17)8-12(10)18/h2-8H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 377.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 2021657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).