[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C19H21FN2O3S — CID 8824278

IUPAC[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN2O3S/c1-2-15-5-3-4-10-22(15)17(23)11-25-19(24)16-12-26-18(21-16)13-6-8-14(20)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3/t15-/m0/s1
InChIKeyCYNJLWDOXHUEAR-HNNXBMFYSA-N
MW376.45 g/mol
LogP3.90
Rot. Bonds5

About [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824278) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824278
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN2O3S/c1-2-15-5-3-4-10-22(15)17(23)11-25-19(24)16-12-26-18(21-16)13-6-8-14(20)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3/t15-/m0/s1
InChIKeyCYNJLWDOXHUEAR-HNNXBMFYSA-N
XLogP3.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119467138
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542495
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824748
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824438
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649559
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133637
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135397
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 46818683
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513208

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824278) is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CC[C@H]1CCCCN1C(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CYNJLWDOXHUEAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-15-5-3-4-10-22(15)17(23)11-25-19(24)16-12-26-18(21-16)13-6-8-14(20)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3/t15-/m0/s1.
What are the key properties of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).