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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[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
SMILESCc1c(OCCCN2CCC3(CC2)COC3)cccc1-c1cccc(-c2nc3c(s2)CN(CCO)CC3)c1C
InChIInChI=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
InChIKeyWNGQDGQCNORUCW-UHFFFAOYSA-N
MW547.77 g/mol
LogP5.33
Rot. Bonds9

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 Name2-[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 CID155670314
Molecular FormulaC32H41N3O3S
Molecular Weight547.77 g/mol
Exact Mass547.29
IUPAC Name2-[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
SMILESCc1c(OCCCN2CCC3(CC2)COC3)cccc1-c1cccc(-c2nc3c(s2)CN(CCO)CC3)c1C
InChIInChI=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
InChIKeyWNGQDGQCNORUCW-UHFFFAOYSA-N
XLogP5.33
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.77
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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).

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