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

C18H16F3NOS — CID 11842543

IUPAC2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NOS/c1-2-12-3-5-13(6-4-12)17-22(16(23)11-24-17)15-9-7-14(8-10-15)18(19,20)21/h3-10,17H,2,11H2,1H3
InChIKeyXGLRTFOYVXLCDT-UHFFFAOYSA-N
MW351.39 g/mol
LogP5.05
Rot. Bonds3

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

2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 11842543) has the molecular formula C18H16F3NOS and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID11842543
Molecular FormulaC18H16F3NOS
Molecular Weight351.39 g/mol
Exact Mass351.09
IUPAC Name2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NOS/c1-2-12-3-5-13(6-4-12)17-22(16(23)11-24-17)15-9-7-14(8-10-15)18(19,20)21/h3-10,17H,2,11H2,1H3
InChIKeyXGLRTFOYVXLCDT-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 11842543) is 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CCc1ccc(C2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is XGLRTFOYVXLCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NOS/c1-2-12-3-5-13(6-4-12)17-22(16(23)11-24-17)15-9-7-14(8-10-15)18(19,20)21/h3-10,17H,2,11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 351.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).