3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one

C16H15NO2S — CID 5057465

IUPAC3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15NO2S/c1-11-2-4-12(5-3-11)16-17(15(19)10-20-16)13-6-8-14(18)9-7-13/h2-9,16,18H,10H2,1H3
InChIKeyLCGUDBABJGIOFK-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.48
Rot. Bonds2

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

3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5057465) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID5057465
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15NO2S/c1-11-2-4-12(5-3-11)16-17(15(19)10-20-16)13-6-8-14(18)9-7-13/h2-9,16,18H,10H2,1H3
InChIKeyLCGUDBABJGIOFK-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 690197
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4914726
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 732386
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
[4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 56968142

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 5057465) is 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LCGUDBABJGIOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-2-4-12(5-3-11)16-17(15(19)10-20-16)13-6-8-14(18)9-7-13/h2-9,16,18H,10H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5057465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).