2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C18H18F3N3O2S — CID 34067165

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-5-3-12(4-6-13)7-8-22-15(25)10-14-11-27-17(23-14)24-9-1-2-16(24)26/h3-6,11H,1-2,7-10H2,(H,22,25)
InChIKeyXYRBVPHTNSIZKJ-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 34067165) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID34067165
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-5-3-12(4-6-13)7-8-22-15(25)10-14-11-27-17(23-14)24-9-1-2-16(24)26/h3-6,11H,1-2,7-10H2,(H,22,25)
InChIKeyXYRBVPHTNSIZKJ-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39968099
N-[3-(4-methoxyphenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55921192
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
N-[(3-fluoro-4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39728106
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667889
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745485
1-[(4-fluorophenyl)methyl]-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8943014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 34067165) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XYRBVPHTNSIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c19-18(20,21)13-5-3-12(4-6-13)7-8-22-15(25)10-14-11-27-17(23-14)24-9-1-2-16(24)26/h3-6,11H,1-2,7-10H2,(H,22,25).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 34067165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).