2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C17H15F3N4O2S — CID 135410872

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25)
InChIKeyVCVPLZYCGTZQPH-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.45
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135410872) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135410872
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25)
InChIKeyVCVPLZYCGTZQPH-UHFFFAOYSA-N
XLogP3.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 24881032
2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-carboxamide
CID 46880667
(S)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)thiazole-5-carboxamide
CID 46880714
Methyl-2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 135771804
5-(Hydroxymethyl)-2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 135771805
(R)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)thiazole-5-carboxamide
CID 46880715
N-[(4-Methoxyphenyl)methyl]-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-D]pyrimidin-2-YL}piperidine-3-carboxamide
CID 135951962
2-{3-[2-(Trifluoromethyl)phenoxy]pyrrolidin-1-yl}-1,3-thiazole-5-carboxamide
CID 57652825
2,2,2-Trifluoro-1-[2-(4-{[2-(trifluoromethyl)phenyl]oxy}-1-piperidinyl)-1,3-thiazol-5-yl]ethanone
CID 57659025
N-hydroxy-N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 57659028
N-methoxy-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 57659037
Methyl 2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carboxylate
CID 57659049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135410872) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VCVPLZYCGTZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25).
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 396.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135410872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).