3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C18H16F3NO2S — CID 3781995

IUPAC3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCOc1ccccc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(23)12-25-17)10-11-24-15-4-2-1-3-5-15/h1-9,17H,10-12H2
InChIKeyKOSDTTJWKSTHKB-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3781995) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3781995
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCOc1ccccc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(23)12-25-17)10-11-24-15-4-2-1-3-5-15/h1-9,17H,10-12H2
InChIKeyKOSDTTJWKSTHKB-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4657694
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
CID 74227128
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 42815190
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126172626

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3781995) is 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is KOSDTTJWKSTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(23)12-25-17)10-11-24-15-4-2-1-3-5-15/h1-9,17H,10-12H2.
What are the key properties of 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 367.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3781995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).