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

C19H17N3O3S — CID 3072109

IUPAC5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1cc(-c2nnc3scc(-c4ccccc4)n23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-20-21-19-22(18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyTYSDIYQRWOBPSY-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.15
Rot. Bonds5

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

5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 3072109) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID3072109
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1cc(-c2nnc3scc(-c4ccccc4)n23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-20-21-19-22(18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyTYSDIYQRWOBPSY-UHFFFAOYSA-N
XLogP4.15
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
CID 983998
6-Thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666377
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
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 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 3072109) is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is COc1cc(-c2nnc3scc(-c4ccccc4)n23)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is TYSDIYQRWOBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-20-21-19-22(18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 367.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 3072109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).