2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol

C32H41N3O3S — CID 155670314

About 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol

2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol (PubChem CID 155670314) has the molecular formula C32H41N3O3S and a molecular weight of 547.77 g/mol. Its IUPAC name is 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol
• PubChem CID: 155670314
• Molecular Formula: C32H41N3O3S
• Molecular Weight: 547.77 g/mol
• Exact Mass: 547.29
• IUPAC Name: 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol
• SMILES: Cc1c(OCCCN2CCC3(CC2)COC3)cccc1-c1cccc(-c2nc3c(s2)CN(CCO)CC3)c1C
• InChI: InChI=1S/C32H41N3O3S/c1-23-25(6-3-8-27(23)31-33-28-10-14-35(17-18-36)20-30(28)39-31)26-7-4-9-29(24(26)2)38-19-5-13-34-15-11-32(12-16-34)21-37-22-32/h3-4,6-9,36H,5,10-22H2,1-2H3
• InChIKey: WNGQDGQCNORUCW-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 58.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.77
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol?

The IUPAC name of 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol (CID 155670314) is 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol.

What is the SMILES notation for 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol?

The canonical SMILES for 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol is Cc1c(OCCCN2CCC3(CC2)COC3)cccc1-c1cccc(-c2nc3c(s2)CN(CCO)CC3)c1C.

What is the InChIKey of 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol?

The InChIKey is WNGQDGQCNORUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3S/c1-23-25(6-3-8-27(23)31-33-28-10-14-35(17-18-36)20-30(28)39-31)26-7-4-9-29(24(26)2)38-19-5-13-34-15-11-32(12-16-34)21-37-22-32/h3-4,6-9,36H,5,10-22H2,1-2H3.

What are the key properties of 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol?

2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol has a molecular weight of 547.77 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-methyl-3-[2-methyl-3-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]phenyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanol is sourced from PubChem (CID 155670314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).