1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol

C28H32F3N3O2S — CID 155670327

About 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol

1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol (PubChem CID 155670327) has the molecular formula C28H32F3N3O2S and a molecular weight of 531.64 g/mol. Its IUPAC name is 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
• PubChem CID: 155670327
• Molecular Formula: C28H32F3N3O2S
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.22
• IUPAC Name: 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
• SMILES: Cc1c(-c2nc3c(s2)CNCC3)cccc1-c1cccc(OCCCN2CCC(O)CC2)c1C(F)(F)F
• InChI: InChI=1S/C28H32F3N3O2S/c1-18-20(5-2-6-21(18)27-33-23-9-12-32-17-25(23)37-27)22-7-3-8-24(26(22)28(29,30)31)36-16-4-13-34-14-10-19(35)11-15-34/h2-3,5-8,19,32,35H,4,9-17H2,1H3
• InChIKey: MUUOGDGXIBQTPL-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 57.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?

The IUPAC name of 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol (CID 155670327) is 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol.

What is the SMILES notation for 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?

The canonical SMILES for 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol is Cc1c(-c2nc3c(s2)CNCC3)cccc1-c1cccc(OCCCN2CCC(O)CC2)c1C(F)(F)F.

What is the InChIKey of 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?

The InChIKey is MUUOGDGXIBQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2S/c1-18-20(5-2-6-21(18)27-33-23-9-12-32-17-25(23)37-27)22-7-3-8-24(26(22)28(29,30)31)36-16-4-13-34-14-10-19(35)11-15-34/h2-3,5-8,19,32,35H,4,9-17H2,1H3.

What are the key properties of 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?

1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol has a molecular weight of 531.64 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 155670327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).