6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

C13H16FN3OS — CID 173127252

IUPAC6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2ncc(F)cc2n1CCN1CCCCC1
InChIInChI=1S/C13H16FN3OS/c14-10-8-11-12(15-9-10)19-13(18)17(11)7-6-16-4-2-1-3-5-16/h8-9H,1-7H2
InChIKeyCTZOZGRPBIHQQA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.08
Rot. Bonds3

About 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 173127252) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID173127252
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2ncc(F)cc2n1CCN1CCCCC1
InChIInChI=1S/C13H16FN3OS/c14-10-8-11-12(15-9-10)19-13(18)17(11)7-6-16-4-2-1-3-5-16/h8-9H,1-7H2
InChIKeyCTZOZGRPBIHQQA-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 173127252) is 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1sc2ncc(F)cc2n1CCN1CCCCC1.
What is the InChIKey of 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is CTZOZGRPBIHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c14-10-8-11-12(15-9-10)19-13(18)17(11)7-6-16-4-2-1-3-5-16/h8-9H,1-7H2.
What are the key properties of 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 173127252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).