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

C18H16F3NO2S — CID 3680537

IUPAC3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1ccc(O)cc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)17-22(16(24)11-25-17)10-9-12-1-7-15(23)8-2-12/h1-8,17,23H,9-11H2
InChIKeyQXBXSSLGCIDUHB-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.23
Rot. Bonds4

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

3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3680537) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3680537
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1ccc(O)cc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)17-22(16(24)11-25-17)10-9-12-1-7-15(23)8-2-12/h1-8,17,23H,9-11H2
InChIKeyQXBXSSLGCIDUHB-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-(4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1912931
2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-(4-Methoxyphenethyl)-2-methyl-2-p-tolylthiazolidin-4-one
CID 44418140
3-Benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 2732432
3-Benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 5172655
3-Benzyl-5-(4-hydroxybenzylidene)-2-thioxothiazolidin-4-one
CID 1912930
(5Z)-5-(4-hydroxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 1819993
(5Z)-5-(4-hydroxybenzylidene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 5532385
4-Thiazolidinone, 2-(2-hydroxy-5-methylphenyl)-2-methyl-3-(phenylmethyl)-
CID 3042628
3-Butyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one
CID 3042629
4-Thiazolidinone, 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-
CID 3042639
3-(4-Fluorobenzyl)-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1229060

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3680537) is 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1ccc(O)cc1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QXBXSSLGCIDUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)17-22(16(24)11-25-17)10-9-12-1-7-15(23)8-2-12/h1-8,17,23H,9-11H2.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 367.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3680537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).