1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one

C18H26FN3O2S — CID 90173817

IUPAC1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one
SMILESCC(=O)CN1CCc2nc(OC3CCN(C4CCC4)CC3F)sc2C1
InChIInChI=1S/C18H26FN3O2S/c1-12(23)9-21-7-5-15-17(11-21)25-18(20-15)24-16-6-8-22(10-14(16)19)13-3-2-4-13/h13-14,16H,2-11H2,1H3
InChIKeyJUQLDWCRPVZRAS-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one

1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one (PubChem CID 90173817) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one
PubChem CID90173817
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one
SMILESCC(=O)CN1CCc2nc(OC3CCN(C4CCC4)CC3F)sc2C1
InChIInChI=1S/C18H26FN3O2S/c1-12(23)9-21-7-5-15-17(11-21)25-18(20-15)24-16-6-8-22(10-14(16)19)13-3-2-4-13/h13-14,16H,2-11H2,1H3
InChIKeyJUQLDWCRPVZRAS-UHFFFAOYSA-N
XLogP2.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one?
The IUPAC name of 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one (CID 90173817) is 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one is CC(=O)CN1CCc2nc(OC3CCN(C4CCC4)CC3F)sc2C1.
What is the InChIKey of 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one?
The InChIKey is JUQLDWCRPVZRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-12(23)9-21-7-5-15-17(11-21)25-18(20-15)24-16-6-8-22(10-14(16)19)13-3-2-4-13/h13-14,16H,2-11H2,1H3.
What are the key properties of 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one?
1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one has a molecular weight of 367.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclobutyl-3-fluoropiperidin-4-yl)oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one is sourced from PubChem (CID 90173817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).