2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one

C26H24FNO2S — CID 130428173

IUPAC2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CCCc2ccccc2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO2S/c1-18-16-21(24(29)9-5-8-19-6-3-2-4-7-19)12-15-23(18)28-25(30)17-31-26(28)20-10-13-22(27)14-11-20/h2-4,6-7,10-16,26H,5,8-9,17H2,1H3
InChIKeyDTSQOBXQCIIDAO-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.12
Rot. Bonds7

About 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 130428173) has the molecular formula C26H24FNO2S and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID130428173
Molecular FormulaC26H24FNO2S
Molecular Weight433.55 g/mol
Exact Mass433.15
IUPAC Name2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CCCc2ccccc2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO2S/c1-18-16-21(24(29)9-5-8-19-6-3-2-4-7-19)12-15-23(18)28-25(30)17-31-26(28)20-10-13-22(27)14-11-20/h2-4,6-7,10-16,26H,5,8-9,17H2,1H3
InChIKeyDTSQOBXQCIIDAO-UHFFFAOYSA-N
XLogP6.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one (CID 130428173) is 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one is Cc1cc(C(=O)CCCc2ccccc2)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is DTSQOBXQCIIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2S/c1-18-16-21(24(29)9-5-8-19-6-3-2-4-7-19)12-15-23(18)28-25(30)17-31-26(28)20-10-13-22(27)14-11-20/h2-4,6-7,10-16,26H,5,8-9,17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 433.55 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 130428173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).