3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal

C18H26FN3O2S — CID 87073346

IUPAC3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal
SMILESO=CCCN1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1
InChIInChI=1S/C18H26FN3O2S/c19-15-11-21(7-2-10-23)12-16-17(15)20-18(25-16)24-14-5-8-22(9-6-14)13-3-1-4-13/h10,13-15H,1-9,11-12H2
InChIKeyHECLWUJQRHAGCH-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.95
Rot. Bonds6

About 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal

3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal (PubChem CID 87073346) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal.

Molecular Properties

Compound Name3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal
PubChem CID87073346
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal
SMILESO=CCCN1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1
InChIInChI=1S/C18H26FN3O2S/c19-15-11-21(7-2-10-23)12-16-17(15)20-18(25-16)24-14-5-8-22(9-6-14)13-3-1-4-13/h10,13-15H,1-9,11-12H2
InChIKeyHECLWUJQRHAGCH-UHFFFAOYSA-N
XLogP2.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal?
The IUPAC name of 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal (CID 87073346) is 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal.
What is the SMILES notation for 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal?
The canonical SMILES for 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal is O=CCCN1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1.
What is the InChIKey of 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal?
The InChIKey is HECLWUJQRHAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c19-15-11-21(7-2-10-23)12-16-17(15)20-18(25-16)24-14-5-8-22(9-6-14)13-3-1-4-13/h10,13-15H,1-9,11-12H2.
What are the key properties of 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal?
3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal has a molecular weight of 367.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanal is sourced from PubChem (CID 87073346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).