2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C18H16F3N3O2S — CID 24881032

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=c1[nH]ccc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-2-4-14(12)26-11-6-9-24(10-7-11)17-23-13-5-8-22-16(25)15(13)27-17/h1-5,8,11H,6-7,9-10H2,(H,22,25)
InChIKeySLKPAKPHVBWASJ-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.05
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 24881032) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID24881032
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=c1[nH]ccc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-2-4-14(12)26-11-6-9-24(10-7-11)17-23-13-5-8-22-16(25)15(13)27-17/h1-5,8,11H,6-7,9-10H2,(H,22,25)
InChIKeySLKPAKPHVBWASJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
N-Benzyl-2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 24983658
2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-carboxamide
CID 46880667
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135410872
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
N,4-dimethyl-2-(4-phenylmethoxyanilino)-1,3-thiazole-5-carboxamide
CID 8128123
2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-4-carboxamide
CID 46880716
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2438786
2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 2444065
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 130366582
N,N,4-trimethyl-2-{[(2-methylphenoxy)acetyl]amino}-1,3-thiazole-5-carboxamide
CID 1225765

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 24881032) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=c1[nH]ccc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is SLKPAKPHVBWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-2-4-14(12)26-11-6-9-24(10-7-11)17-23-13-5-8-22-16(25)15(13)27-17/h1-5,8,11H,6-7,9-10H2,(H,22,25).
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 395.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 24881032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).