2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one

C16H15NO2S — CID 2839840

IUPAC2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2S/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyNHKLTJRRDBPZND-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 2839840) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID2839840
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2S/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyNHKLTJRRDBPZND-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 2839840) is 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NHKLTJRRDBPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2839840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).