6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C20H19N3O4S — CID 3072098

IUPAC6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1ccc(-c2csc3nc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-21-19(22-23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyFBAACQZYUBAHQX-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.16
Rot. Bonds6

About 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 3072098) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID3072098
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1ccc(-c2csc3nc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-21-19(22-23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyFBAACQZYUBAHQX-UHFFFAOYSA-N
XLogP4.16
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole with MolForge

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

Launch Full Analysis

Related Compounds

6-Cyclohexyl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662261
3-(3-Methylphenyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662306
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 353723
3-Phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661669
6-Benzyl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666496
3-Benzyl-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 989941
N-(2-(2-(3,4-dimethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2,4,6-trimethylbenzenesulfonamide
CID 16032211
N-{2-[2-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}-5-fluoro-2-methoxybenzene-1-sulfonamide
CID 16032285
4-[6-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 132547291
3-(3-Ethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663426
3-Cyclohexyl-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664484
6-(4-Methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 141457992

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 3072098) is 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is COc1ccc(-c2csc3nc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is FBAACQZYUBAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-21-19(22-23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 397.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 3072098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).