2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C18H18FNO2S — CID 4788849

IUPAC2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2S/c1-22-16-8-2-13(3-9-16)10-11-20-17(21)12-23-18(20)14-4-6-15(19)7-5-14/h2-9,18H,10-12H2,1H3
InChIKeyTVWXHSCOADIHJC-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 4788849) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID4788849
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2S/c1-22-16-8-2-13(3-9-16)10-11-20-17(21)12-23-18(20)14-4-6-15(19)7-5-14/h2-9,18H,10-12H2,1H3
InChIKeyTVWXHSCOADIHJC-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
3-[2-(2-hydroxyethylsulfanyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3832795
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 42612293
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 4788849) is 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is TVWXHSCOADIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-22-16-8-2-13(3-9-16)10-11-20-17(21)12-23-18(20)14-4-6-15(19)7-5-14/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 331.41 g/mol, XLogP of 3.65, 5 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-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4788849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).