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

C16H27N3OS — CID 52941311

IUPAC5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCCN1CCc2sc(OCCCN3CCCCC3)nc2C1
InChIInChI=1S/C16H27N3OS/c1-2-18-11-7-15-14(13-18)17-16(21-15)20-12-6-10-19-8-4-3-5-9-19/h2-13H2,1H3
InChIKeyUJAWLZVSAZQXGG-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.78
Rot. Bonds6

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

5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 52941311) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID52941311
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCCN1CCc2sc(OCCCN3CCCCC3)nc2C1
InChIInChI=1S/C16H27N3OS/c1-2-18-11-7-15-14(13-18)17-16(21-15)20-12-6-10-19-8-4-3-5-9-19/h2-13H2,1H3
InChIKeyUJAWLZVSAZQXGG-UHFFFAOYSA-N
XLogP2.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(Piperidin-1-yl)propoxy)-5-(3-(piperidin-1-yl)propyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CID 52940790
5-Methyl-2-(3-(piperidin-1-yl)propoxy)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
CID 52941318
N,N-dimethyl-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridin-2-yloxy)propan-1-amine
CID 52947031
2-(3-(Piperidin-1-yl)propoxy)-5-(3-(piperidin-1-yl)propyl)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
CID 52949865
2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
CID 59463861
1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
CID 66611226
2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
CID 68251418
2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine
CID 68251423
2-ethyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
CID 68251425
2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine
CID 70849753
3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal
CID 87073474
2-(4-fluoro-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
CID 89535393

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 52941311) is 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is CCN1CCc2sc(OCCCN3CCCCC3)nc2C1.
What is the InChIKey of 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is UJAWLZVSAZQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-2-18-11-7-15-14(13-18)17-16(21-15)20-12-6-10-19-8-4-3-5-9-19/h2-13H2,1H3.
What are the key properties of 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 309.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 52941311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).