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

C9H7NO3S — CID 1235122

IUPAC3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1cccc(O)c1
InChIInChI=1S/C9H7NO3S/c11-7-3-1-2-6(4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2
InChIKeyRFFHYSNSXNZTOJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.59
Rot. Bonds1

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

3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1235122) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID1235122
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1cccc(O)c1
InChIInChI=1S/C9H7NO3S/c11-7-3-1-2-6(4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2
InChIKeyRFFHYSNSXNZTOJ-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (CID 1235122) is 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RFFHYSNSXNZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-7-3-1-2-6(4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2.
What are the key properties of 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1235122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).