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

C15H12N4O3S — CID 662318

IUPAC3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C15H12N4O3S/c1-20-10-6-5-9(8-12(10)21-2)13-16-17-15-19(13)18-14(23-15)11-4-3-7-22-11/h3-8H,1-2H3
InChIKeyDRBMRCWGBIMZCC-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.13
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662318) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662318
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C15H12N4O3S/c1-20-10-6-5-9(8-12(10)21-2)13-16-17-15-19(13)18-14(23-15)11-4-3-7-22-11/h3-8H,1-2H3
InChIKeyDRBMRCWGBIMZCC-UHFFFAOYSA-N
XLogP3.13
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[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 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662318) is 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is DRBMRCWGBIMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-20-10-6-5-9(8-12(10)21-2)13-16-17-15-19(13)18-14(23-15)11-4-3-7-22-11/h3-8H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 328.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).