2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

C19H19F2NOS — CID 5043362

IUPAC2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H19F2NOS/c1-19(2,3)13-6-4-12(5-7-13)18-22(17(23)11-24-18)16-9-8-14(20)10-15(16)21/h4-10,18H,11H2,1-3H3
InChIKeyRCDKMXPXZRVBOK-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.04
Rot. Bonds2

About 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5043362) has the molecular formula C19H19F2NOS and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID5043362
Molecular FormulaC19H19F2NOS
Molecular Weight347.43 g/mol
Exact Mass347.12
IUPAC Name2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H19F2NOS/c1-19(2,3)13-6-4-12(5-7-13)18-22(17(23)11-24-18)16-9-8-14(20)10-15(16)21/h4-10,18H,11H2,1-3H3
InChIKeyRCDKMXPXZRVBOK-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (CID 5043362) is 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is RCDKMXPXZRVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NOS/c1-19(2,3)13-6-4-12(5-7-13)18-22(17(23)11-24-18)16-9-8-14(20)10-15(16)21/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
2-(4-tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 347.43 g/mol, XLogP of 5.04, 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-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).