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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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
2-(Benzylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 807803
2-Benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 890322

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).