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

C16H15NO4S — CID 4914726

IUPAC2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H15NO4S/c1-21-14-8-10(2-7-13(14)19)16-17(15(20)9-22-16)11-3-5-12(18)6-4-11/h2-8,16,18-19H,9H2,1H3
InChIKeyYDHFYFULJMXOPR-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.88
Rot. Bonds3

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

2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4914726) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4914726
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H15NO4S/c1-21-14-8-10(2-7-13(14)19)16-17(15(20)9-22-16)11-3-5-12(18)6-4-11/h2-8,16,18-19H,9H2,1H3
InChIKeyYDHFYFULJMXOPR-UHFFFAOYSA-N
XLogP2.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10573347
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057465
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 139235926
(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
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6935348
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
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 4914726) is 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2c2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YDHFYFULJMXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-21-14-8-10(2-7-13(14)19)16-17(15(20)9-22-16)11-3-5-12(18)6-4-11/h2-8,16,18-19H,9H2,1H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4914726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).