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

C10H9NO3S — CID 10198397

IUPAC5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(O)cc2)S1
InChIInChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)
InChIKeyNKOHRVBBQISBSB-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.29
Rot. Bonds2

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

5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10198397) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10198397
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(O)cc2)S1
InChIInChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)
InChIKeyNKOHRVBBQISBSB-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
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 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 10198397) is 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(O)cc2)S1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NKOHRVBBQISBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 223.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10198397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).