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

C19H16BrN3O3S — CID 3072096

IUPAC6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1cc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-19-23(22-18)14(10-27-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeySLUQVEDMAFGEEA-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.91
Rot. Bonds5

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

6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 3072096) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID3072096
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1cc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-19-23(22-18)14(10-27-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeySLUQVEDMAFGEEA-UHFFFAOYSA-N
XLogP4.91
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3806129
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 353723
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
2-(4-Methoxyphenyl)-6-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 2140141
(e)-1-(3,4,5-Trimethoxybenzylidene)-2-(4-(4-bromophenyl)thiazole-2-yl)hydrazine
CID 5710261
2-[5-(2-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784853
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(3,5-dimethoxy-4-ethoxyphenyl)-
CID 3045321
Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
CID 3045323
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3045324
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 3045325
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3045327

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 3072096) is 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is COc1cc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is SLUQVEDMAFGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-19-23(22-18)14(10-27-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3.
What are the key properties of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 446.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 3072096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).