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

C19H20FNOS — CID 4519038

IUPAC2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNOS/c1-19(2,3)14-6-4-13(5-7-14)18-21(17(22)12-23-18)16-10-8-15(20)9-11-16/h4-11,18H,12H2,1-3H3
InChIKeyHKWAKMYFZXHWOO-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.90
Rot. Bonds2

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

2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4519038) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4519038
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNOS/c1-19(2,3)14-6-4-13(5-7-14)18-21(17(22)12-23-18)16-10-8-15(20)9-11-16/h4-11,18H,12H2,1-3H3
InChIKeyHKWAKMYFZXHWOO-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.90
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-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 4519038) is 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is HKWAKMYFZXHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-19(2,3)14-6-4-13(5-7-14)18-21(17(22)12-23-18)16-10-8-15(20)9-11-16/h4-11,18H,12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
2-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 329.44 g/mol, XLogP of 4.90, 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-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4519038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).