5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H17FN4O2S — CID 110381977

About 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381977) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 110381977
• Molecular Formula: C15H17FN4O2S
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.11
• IUPAC Name: 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Cc1nc2sc(C(c3ccccc3F)N(C)CCO)c(O)n2n1
• InChI: InChI=1S/C15H17FN4O2S/c1-9-17-15-20(18-9)14(22)13(23-15)12(19(2)7-8-21)10-5-3-4-6-11(10)16/h3-6,12,21-22H,7-8H2,1-2H3
• InChIKey: XEMKJIIULXJZSA-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 73.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381977) is 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccccc3F)N(C)CCO)c(O)n2n1.

What is the InChIKey of 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is XEMKJIIULXJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-9-17-15-20(18-9)14(22)13(23-15)12(19(2)7-8-21)10-5-3-4-6-11(10)16/h3-6,12,21-22H,7-8H2,1-2H3.

What are the key properties of 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 336.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).