[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H17F3N4O2S — CID 146571023

IUPAC[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC(O)C(n3cccn3)C2)s1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)13-4-1-3-12(9-13)17(28)16-10-23-18(29-16)25-8-5-15(27)14(11-25)26-7-2-6-24-26/h1-4,6-7,9-10,14-15,27H,5,8,11H2
InChIKeyPSPXPLFLCBPKGE-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.40
Rot. Bonds4

About [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 146571023) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID146571023
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC(O)C(n3cccn3)C2)s1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)13-4-1-3-12(9-13)17(28)16-10-23-18(29-16)25-8-5-15(27)14(11-25)26-7-2-6-24-26/h1-4,6-7,9-10,14-15,27H,5,8,11H2
InChIKeyPSPXPLFLCBPKGE-UHFFFAOYSA-N
XLogP3.40
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146570846
[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 152554134
[2-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571057
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881
[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571073
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45243704
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146618078

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 146571023) is [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC(O)C(n3cccn3)C2)s1.
What is the InChIKey of [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is PSPXPLFLCBPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)13-4-1-3-12(9-13)17(28)16-10-23-18(29-16)25-8-5-15(27)14(11-25)26-7-2-6-24-26/h1-4,6-7,9-10,14-15,27H,5,8,11H2.
What are the key properties of [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 422.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 146571023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).