5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C10H11NO3S — CID 67121804

IUPAC5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(C2CC(=O)NS2(=O)=O)c1
InChIInChI=1S/C10H11NO3S/c1-7-3-2-4-8(5-7)9-6-10(12)11-15(9,13)14/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyUZCXTYSOGVAOCA-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.89
Rot. Bonds1

About 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 67121804) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID67121804
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(C2CC(=O)NS2(=O)=O)c1
InChIInChI=1S/C10H11NO3S/c1-7-3-2-4-8(5-7)9-6-10(12)11-15(9,13)14/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyUZCXTYSOGVAOCA-UHFFFAOYSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 67121804) is 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is Cc1cccc(C2CC(=O)NS2(=O)=O)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is UZCXTYSOGVAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-7-3-2-4-8(5-7)9-6-10(12)11-15(9,13)14/h2-5,9H,6H2,1H3,(H,11,12).
What are the key properties of 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 225.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 67121804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).