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

C20H19N3O3S — CID 3072097

IUPAC6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1cc(-c2nc3scc(-c4ccc(C)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-21-19(22-23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChIKeyMNLHYAHBBSARTJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.46
Rot. Bonds5

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

6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 3072097) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID3072097
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1cc(-c2nc3scc(-c4ccc(C)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-21-19(22-23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChIKeyMNLHYAHBBSARTJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 3072097) is 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is COc1cc(-c2nc3scc(-c4ccc(C)cc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is MNLHYAHBBSARTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-21-19(22-23(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 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][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 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 3072097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).