(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one

C18H19NO2S — CID 720979

IUPAC(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)18-19(17(20)13-22-18)12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyXSZFNGBSMIARBY-SFHVURJKSA-N
MW313.42 g/mol
LogP3.51
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one

(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 720979) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID720979
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)18-19(17(20)13-22-18)12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyXSZFNGBSMIARBY-SFHVURJKSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126190058
2-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4219465
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one (CID 720979) is (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one is COc1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is XSZFNGBSMIARBY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)18-19(17(20)13-22-18)12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 313.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 720979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).