3-phenacyl-1,3-thiazolidine-2,4-dione

C11H9NO3S — CID 652953

IUPAC3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)CSC1=O)c1ccccc1
InChIInChI=1S/C11H9NO3S/c13-9(8-4-2-1-3-5-8)6-12-10(14)7-16-11(12)15/h1-5H,6-7H2
InChIKeyQQNMJMDYFPPGTE-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.56
Rot. Bonds3

About 3-phenacyl-1,3-thiazolidine-2,4-dione

3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 652953) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID652953
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)CSC1=O)c1ccccc1
InChIInChI=1S/C11H9NO3S/c13-9(8-4-2-1-3-5-8)6-12-10(14)7-16-11(12)15/h1-5H,6-7H2
InChIKeyQQNMJMDYFPPGTE-UHFFFAOYSA-N
XLogP1.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
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-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-phenacyl-1,3-thiazolidine-2,4-dione (CID 652953) is 3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)CSC1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is QQNMJMDYFPPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-9(8-4-2-1-3-5-8)6-12-10(14)7-16-11(12)15/h1-5H,6-7H2.
What are the key properties of 3-phenacyl-1,3-thiazolidine-2,4-dione?
3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 235.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 652953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).