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

C20H19N3O4S — CID 3072112

IUPAC5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1ccc(-c2csc3nnc(-c4cc(OC)c(OC)c(OC)c4)n23)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-22-21-19(23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyWFMZBGZIHJJJBG-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.16
Rot. Bonds6

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

5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 3072112) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID3072112
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1ccc(-c2csc3nnc(-c4cc(OC)c(OC)c(OC)c4)n23)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-22-21-19(23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyWFMZBGZIHJJJBG-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 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 3072112) is 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is COc1ccc(-c2csc3nnc(-c4cc(OC)c(OC)c(OC)c4)n23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is WFMZBGZIHJJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-22-21-19(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 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][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 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 3072112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).