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

C20H20F3NOS — CID 4069964

IUPAC2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NOS/c1-19(2,3)14-9-7-13(8-10-14)18-24(17(25)12-26-18)16-6-4-5-15(11-16)20(21,22)23/h4-11,18H,12H2,1-3H3
InChIKeyWGJYURMUMVGCRF-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.78
Rot. Bonds2

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

2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4069964) has the molecular formula C20H20F3NOS and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID4069964
Molecular FormulaC20H20F3NOS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NOS/c1-19(2,3)14-9-7-13(8-10-14)18-24(17(25)12-26-18)16-6-4-5-15(11-16)20(21,22)23/h4-11,18H,12H2,1-3H3
InChIKeyWGJYURMUMVGCRF-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 4069964) is 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is WGJYURMUMVGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NOS/c1-19(2,3)14-9-7-13(8-10-14)18-24(17(25)12-26-18)16-6-4-5-15(11-16)20(21,22)23/h4-11,18H,12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 379.45 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4069964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).