6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H16N4O3S — CID 53497685

About 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 53497685) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• PubChem CID: 53497685
• Molecular Formula: C18H16N4O3S
• Molecular Weight: 368.42 g/mol
• Exact Mass: 368.09
• IUPAC Name: 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• SMILES: COc1cccc(OCc2nn3c(-c4cccc(OC)c4)nnc3s2)c1
• InChI: InChI=1S/C18H16N4O3S/c1-23-13-6-3-5-12(9-13)17-19-20-18-22(17)21-16(26-18)11-25-15-8-4-7-14(10-15)24-2/h3-10H,11H2,1-2H3
• InChIKey: OOZDEERZEHMDNN-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 70.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.42
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The IUPAC name of 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 53497685) is 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The canonical SMILES for 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cccc(OCc2nn3c(-c4cccc(OC)c4)nnc3s2)c1.

What is the InChIKey of 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The InChIKey is OOZDEERZEHMDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-23-13-6-3-5-12(9-13)17-19-20-18-22(17)21-16(26-18)11-25-15-8-4-7-14(10-15)24-2/h3-10H,11H2,1-2H3.

What are the key properties of 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 368.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 53497685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).