3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one

C23H19NO4S — CID 10573347

IUPAC3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(C(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C23H19NO4S/c1-28-20-13-17(9-12-19(20)25)23-24(21(26)14-29-23)18-10-7-16(8-11-18)22(27)15-5-3-2-4-6-15/h2-13,23,25H,14H2,1H3
InChIKeyZNNVJLBLXSOWKN-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.41
Rot. Bonds5

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

3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 10573347) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID10573347
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(C(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C23H19NO4S/c1-28-20-13-17(9-12-19(20)25)23-24(21(26)14-29-23)18-10-7-16(8-11-18)22(27)15-5-3-2-4-6-15/h2-13,23,25H,14H2,1H3
InChIKeyZNNVJLBLXSOWKN-UHFFFAOYSA-N
XLogP4.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4914726
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(4-benzoylphenyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 10521764
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 742773
2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2881512

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one (CID 10573347) is 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2c2ccc(C(=O)c3ccccc3)cc2)ccc1O.
What is the InChIKey of 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZNNVJLBLXSOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-28-20-13-17(9-12-19(20)25)23-24(21(26)14-29-23)18-10-7-16(8-11-18)22(27)15-5-3-2-4-6-15/h2-13,23,25H,14H2,1H3.
What are the key properties of 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10573347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).