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

C18H18FNO2S — CID 3834473

IUPAC2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)12-23-18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyXZWFXXHSPQQPGT-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.00
Rot. Bonds5

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

2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3834473) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3834473
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)12-23-18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyXZWFXXHSPQQPGT-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one
CID 3871802
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
(2S)-3-benzyl-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964306
2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3861067
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 3138297
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3834473) is 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is CCOc1ccccc1C1SCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is XZWFXXHSPQQPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)12-23-18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 331.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3834473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).