5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione

C10H9NO3S — CID 151816538

IUPAC5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(c2ccc(O)cc2)C1=O
InChIInChI=1S/C10H9NO3S/c1-11-9(13)8(15-10(11)14)6-2-4-7(12)5-3-6/h2-5,8,12H,1H3
InChIKeySBSFMJZIHHOMTA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.76
Rot. Bonds1

About 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione

5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 151816538) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID151816538
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(c2ccc(O)cc2)C1=O
InChIInChI=1S/C10H9NO3S/c1-11-9(13)8(15-10(11)14)6-2-4-7(12)5-3-6/h2-5,8,12H,1H3
InChIKeySBSFMJZIHHOMTA-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(4-Hydroxybenzyl)thiazolidine-2,4-dione
CID 10198397
5-[(4-Hydroxy-3,5-dimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 56662172
5-(4-Hydroxybenzylidene)-3-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 2266667
(E)-7,8-bis(4-hydroxyphenyl)-N-methyl-N-(3-pentylsulfanylpropyl)dec-7-enamide
CID 44394145
N-butyl-N-methyl-13,14-bis(4'-hydroxyphenyl)-12-thiatetradecanamide
CID 160408
8-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]-N-butyl-N-methyloctanamide
CID 10253604
6-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]-N-butyl-N-methylhexanamide
CID 10432801
5-(4-Hydroxy-3-trifluoromethyl-benzyl)-3-(1-methyl-cyclohexylmethyl)-thiazolidine-2,4-dione
CID 24827765
3-(4-Hydroxyphenyl)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
CID 5194607
Ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 171346009
3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one
CID 135069353
(3R,6R)-3-[(4-hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 13989134

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione (CID 151816538) is 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(c2ccc(O)cc2)C1=O.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is SBSFMJZIHHOMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-11-9(13)8(15-10(11)14)6-2-4-7(12)5-3-6/h2-5,8,12H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione?
5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 223.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 151816538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).