2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H18F3N3O2S — CID 3886672

IUPAC2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)11-5-4-6-12(9-11)21-14(24)10-13-15(25)22-16(26-13)23-7-2-1-3-8-23/h4-6,9,13H,1-3,7-8,10H2,(H,21,24)
InChIKeyYFQAKEJZJFOMGC-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3886672) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3886672
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)11-5-4-6-12(9-11)21-14(24)10-13-15(25)22-16(26-13)23-7-2-1-3-8-23/h4-6,9,13H,1-3,7-8,10H2,(H,21,24)
InChIKeyYFQAKEJZJFOMGC-UHFFFAOYSA-N
XLogP3.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 666903
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 2936271
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3886672) is 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YFQAKEJZJFOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c18-17(19,20)11-5-4-6-12(9-11)21-14(24)10-13-15(25)22-16(26-13)23-7-2-1-3-8-23/h4-6,9,13H,1-3,7-8,10H2,(H,21,24).
What are the key properties of 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3886672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).