5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C18H22N4O4S — CID 110381631

About 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381631) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 110381631
• Molecular Formula: C18H22N4O4S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.14
• IUPAC Name: 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCOc1ccc(C(c2sc3ncnn3c2O)N2CCOCC2)cc1OC
• InChI: InChI=1S/C18H22N4O4S/c1-3-26-13-5-4-12(10-14(13)24-2)15(21-6-8-25-9-7-21)16-17(23)22-18(27-16)19-11-20-22/h4-5,10-11,15,23H,3,6-9H2,1-2H3
• InChIKey: ZHRKYEUPRBVHOQ-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 81.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381631) is 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCOc1ccc(C(c2sc3ncnn3c2O)N2CCOCC2)cc1OC.

What is the InChIKey of 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is ZHRKYEUPRBVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-26-13-5-4-12(10-14(13)24-2)15(21-6-8-25-9-7-21)16-17(23)22-18(27-16)19-11-20-22/h4-5,10-11,15,23H,3,6-9H2,1-2H3.

What are the key properties of 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 390.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).