[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate

C12H10F3NO3S — CID 154239323

IUPAC[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
SMILESCC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3
InChIKeyCGDYKIGEQAGASI-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.63
Rot. Bonds2

About [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate

[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate (PubChem CID 154239323) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate.

Molecular Properties

Compound Name[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
PubChem CID154239323
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC Name[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
SMILESCC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3
InChIKeyCGDYKIGEQAGASI-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
2-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetate
CID 152760268
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
(1S,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 69151810
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
(3S)-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93331629
(3S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 93331962
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015

Frequently Asked Questions

What is the IUPAC name of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The IUPAC name of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate (CID 154239323) is [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate.
What is the SMILES notation for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The canonical SMILES for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate is CC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The InChIKey is CGDYKIGEQAGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3.
What are the key properties of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate has a molecular weight of 305.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate is sourced from PubChem (CID 154239323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).