1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

C22H25F3N4O2S — CID 118433550

IUPAC1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3(C)C=C(O)C=CC3)cs2)CC1
InChIInChI=1S/C22H25F3N4O2S/c1-14-10-17(22(23,24)25)27-29(14)12-19(31)28-8-5-15(6-9-28)20-26-18(13-32-20)21(2)7-3-4-16(30)11-21/h3-4,10-11,13,15,30H,5-9,12H2,1-2H3
InChIKeyDREMHPMFEIYXIJ-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.73
Rot. Bonds4

About 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 118433550) has the molecular formula C22H25F3N4O2S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID118433550
Molecular FormulaC22H25F3N4O2S
Molecular Weight466.53 g/mol
Exact Mass466.17
IUPAC Name1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3(C)C=C(O)C=CC3)cs2)CC1
InChIInChI=1S/C22H25F3N4O2S/c1-14-10-17(22(23,24)25)27-29(14)12-19(31)28-8-5-15(6-9-28)20-26-18(13-32-20)21(2)7-3-4-16(30)11-21/h3-4,10-11,13,15,30H,5-9,12H2,1-2H3
InChIKeyDREMHPMFEIYXIJ-UHFFFAOYSA-N
XLogP4.73
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 86631243
1-[4-[4-(cyclohexylsulfonylmethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 66887743
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-(5-propyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 59570250
[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamic acid;phenoxybenzene
CID 162068198
3-fluoro-2-hydroxy-N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]benzamide
CID 66956874
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 90716860
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(2S)-2-phenyl-2,3-dihydro-1H-pyrrol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 141410817
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[5-(2,4,6-trimethylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 91159287
N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66796336
[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-3-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 66911475
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine
CID 171923658
4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 130237892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 118433550) is 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3(C)C=C(O)C=CC3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is DREMHPMFEIYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2S/c1-14-10-17(22(23,24)25)27-29(14)12-19(31)28-8-5-15(6-9-28)20-26-18(13-32-20)21(2)7-3-4-16(30)11-21/h3-4,10-11,13,15,30H,5-9,12H2,1-2H3.
What are the key properties of 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 466.53 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 118433550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).