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

C20H19N3O3S — CID 3072111

IUPAC5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1cc(-c2nnc3scc(-c4ccc(C)cc4)n23)cc(OC)c1OC
InChIInChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-22-21-19(23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChIKeyDBXXBLCDKBQCCO-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.46
Rot. Bonds5

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

5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 3072111) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID3072111
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1cc(-c2nnc3scc(-c4ccc(C)cc4)n23)cc(OC)c1OC
InChIInChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-22-21-19(23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChIKeyDBXXBLCDKBQCCO-UHFFFAOYSA-N
XLogP4.46
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methylphenyl)-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

Related Compounds

3-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2243202
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
6-(4-Methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 141457990
3-{[(2,3-Dihydro-1,4-benzodioxin-6-yl)methyl]sulfanyl}-5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazole
CID 1288870
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
Thiazolo(3,2-b)(1,2,4)-triazole, 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072096
Thiazolo(3,2-b)(1,2,4)triazole, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072097
Thiazolo(3,2-b)(1,2,4)triazole, 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072098

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 3072111) is 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is COc1cc(-c2nnc3scc(-c4ccc(C)cc4)n23)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is DBXXBLCDKBQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-22-21-19(23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3.
What are the key properties of 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 381.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 3072111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).