6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C20H20N4O4S — CID 53338206

IUPAC6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1
InChIInChI=1S/C20H20N4O4S/c1-25-13-6-7-14(16(11-13)27-3)19-23-24-18(21-22-20(24)29-19)10-12-5-8-15(26-2)17(9-12)28-4/h5-9,11H,10H2,1-4H3
InChIKeyVJRIHBLOIDZNJL-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.48
Rot. Bonds7

About 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 53338206) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID53338206
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1
InChIInChI=1S/C20H20N4O4S/c1-25-13-6-7-14(16(11-13)27-3)19-23-24-18(21-22-20(24)29-19)10-12-5-8-15(26-2)17(9-12)28-4/h5-9,11H,10H2,1-4H3
InChIKeyVJRIHBLOIDZNJL-UHFFFAOYSA-N
XLogP3.48
TPSA80.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[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-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 53338206) is 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VJRIHBLOIDZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-25-13-6-7-14(16(11-13)27-3)19-23-24-18(21-22-20(24)29-19)10-12-5-8-15(26-2)17(9-12)28-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 412.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 53338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).