Molecules/(R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

(R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanone

C20H20F6N8O2S550.50 g/molCID 121485701

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Molecular Identity

(R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanone

PubChem CID: 121485701

2D Structure

Properties

C₂₀H₂₀F₆N₈O₂S

Molecular Formula

550.50

Molecular Weight

g/mol

550.1334

Exact Mass

2.5

XLogP

Drug-like (Lipinski: < 5)

141

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

787

Complexity

SMILES

Canonical SMILES

SMILES: CC1=NN(C=N1)CC(=O)N2CCN(CC2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F

Isomeric SMILES

SMILES: CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F

Synonyms(20)

ACT-7779911967811-46-6ACT777991(R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanoneB5B6YF7GWTorb1744398CHEMBL5279308SCHEMBL17927855GTPL12584FDZFVXKCJKOSRC-CYBMUJFWSA-NBDBM610439GLXC-27064US10053457, Example 35EX-A14793

Data from PubChem (NCBI)

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Molecular Structure

(R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

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2D molecular structure of (R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

Source: PubChem

Drug Network

Trials and conditions connected to (R)-1-(2-(2-Hydroxyethyl)-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)-2-(3-methyl-1H-1,2,4-triazol-1-yl)ethan-1-one

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