1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one

C22H24F3N3O2S — CID 143301914

IUPAC1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCC(=O)N1CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C1
InChIInChI=1S/C22H24F3N3O2S/c23-22(24,25)16-8-6-15(7-9-16)21-26-17-14-28(13-10-18(17)31-21)20(30)5-3-12-27-11-2-1-4-19(27)29/h6-9H,1-5,10-14H2
InChIKeyJTUYUSFDFONWLC-UHFFFAOYSA-N
MW451.51 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one

1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one (PubChem CID 143301914) has the molecular formula C22H24F3N3O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one
PubChem CID143301914
Molecular FormulaC22H24F3N3O2S
Molecular Weight451.51 g/mol
Exact Mass451.15
IUPAC Name1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCC(=O)N1CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C1
InChIInChI=1S/C22H24F3N3O2S/c23-22(24,25)16-8-6-15(7-9-16)21-26-17-14-28(13-10-18(17)31-21)20(30)5-3-12-27-11-2-1-4-19(27)29/h6-9H,1-5,10-14H2
InChIKeyJTUYUSFDFONWLC-UHFFFAOYSA-N
XLogP4.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one?
The IUPAC name of 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one (CID 143301914) is 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one.
What is the SMILES notation for 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one?
The canonical SMILES for 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one is O=C1CCCCN1CCCC(=O)N1CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C1.
What is the InChIKey of 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one?
The InChIKey is JTUYUSFDFONWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2S/c23-22(24,25)16-8-6-15(7-9-16)21-26-17-14-28(13-10-18(17)31-21)20(30)5-3-12-27-11-2-1-4-19(27)29/h6-9H,1-5,10-14H2.
What are the key properties of 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one?
1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one has a molecular weight of 451.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one is sourced from PubChem (CID 143301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).