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

C18H26FN3O2S — CID 56848592

IUPAC1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1
InChIInChI=1S/C18H26FN3O2S/c1-2-16(23)22-10-14(19)17-15(11-22)25-18(20-17)24-13-6-8-21(9-7-13)12-4-3-5-12/h12-14H,2-11H2,1H3
InChIKeyWEZXOUOPMBOVDX-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.30
Rot. Bonds4

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

1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (PubChem CID 56848592) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
PubChem CID56848592
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1
InChIInChI=1S/C18H26FN3O2S/c1-2-16(23)22-10-14(19)17-15(11-22)25-18(20-17)24-13-6-8-21(9-7-13)12-4-3-5-12/h12-14H,2-11H2,1H3
InChIKeyWEZXOUOPMBOVDX-UHFFFAOYSA-N
XLogP3.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (CID 56848592) is 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is CCC(=O)N1Cc2sc(OC3CCN(C4CCC4)CC3)nc2C(F)C1.
What is the InChIKey of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The InChIKey is WEZXOUOPMBOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-2-16(23)22-10-14(19)17-15(11-22)25-18(20-17)24-13-6-8-21(9-7-13)12-4-3-5-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7-fluoro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 56848592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).