2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C22H38N4OS — CID 52949865

IUPAC2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESC1CCN(CCCOc2nc3c(s2)CCN(CCCN2CCCCC2)C3)CC1
InChIInChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-21-20(19-26)23-22(28-21)27-18-8-16-25-12-5-2-6-13-25/h1-19H2
InChIKeySPEOAOQMPSITRE-UHFFFAOYSA-N
MW406.64 g/mol
LogP3.63
Rot. Bonds9

About 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 52949865) has the molecular formula C22H38N4OS and a molecular weight of 406.64 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID52949865
Molecular FormulaC22H38N4OS
Molecular Weight406.64 g/mol
Exact Mass406.28
IUPAC Name2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESC1CCN(CCCOc2nc3c(s2)CCN(CCCN2CCCCC2)C3)CC1
InChIInChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-21-20(19-26)23-22(28-21)27-18-8-16-25-12-5-2-6-13-25/h1-19H2
InChIKeySPEOAOQMPSITRE-UHFFFAOYSA-N
XLogP3.63
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 52949865) is 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is C1CCN(CCCOc2nc3c(s2)CCN(CCCN2CCCCC2)C3)CC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is SPEOAOQMPSITRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-21-20(19-26)23-22(28-21)27-18-8-16-25-12-5-2-6-13-25/h1-19H2.
What are the key properties of 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 406.64 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 52949865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).