2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C13H14F3NO3S — CID 3594995

IUPAC2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2CC(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3S/c1-19-9-3-8(4-10(5-9)20-2)12-17(7-13(14,15)16)11(18)6-21-12/h3-5,12H,6-7H2,1-2H3
InChIKeyCDQKWEIPVUMMMV-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.84
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 3594995) has the molecular formula C13H14F3NO3S and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID3594995
Molecular FormulaC13H14F3NO3S
Molecular Weight321.32 g/mol
Exact Mass321.06
IUPAC Name2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2CC(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3S/c1-19-9-3-8(4-10(5-9)20-2)12-17(7-13(14,15)16)11(18)6-21-12/h3-5,12H,6-7H2,1-2H3
InChIKeyCDQKWEIPVUMMMV-UHFFFAOYSA-N
XLogP2.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 3358569
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3688527
methyl 4-[4-oxo-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3317359
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
3-[(3,5-dimethoxyphenyl)methyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3364686
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3724582
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanenitrile
CID 4987874

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 3594995) is 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is COc1cc(OC)cc(C2SCC(=O)N2CC(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is CDQKWEIPVUMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3S/c1-19-9-3-8(4-10(5-9)20-2)12-17(7-13(14,15)16)11(18)6-21-12/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 321.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3594995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).