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

C19H24N4O3S — CID 110381869

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

5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381869) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 110381869
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCOc1c(OC)cccc1C(c1sc2ncnn2c1O)N1CCCCC1
• InChI: InChI=1S/C19H24N4O3S/c1-3-26-16-13(8-7-9-14(16)25-2)15(22-10-5-4-6-11-22)17-18(24)23-19(27-17)20-12-21-23/h7-9,12,15,24H,3-6,10-11H2,1-2H3
• InChIKey: KXOFFSUHWNWTPU-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381869) is 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCOc1c(OC)cccc1C(c1sc2ncnn2c1O)N1CCCCC1.

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

The InChIKey is KXOFFSUHWNWTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-3-26-16-13(8-7-9-14(16)25-2)15(22-10-5-4-6-11-22)17-18(24)23-19(27-17)20-12-21-23/h7-9,12,15,24H,3-6,10-11H2,1-2H3.

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

5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 388.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).