5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one

C10H11NO2S — CID 67121813

IUPAC5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one
SMILESCc1ccc(C2CC(=O)NS2=O)cc1
InChIInChI=1S/C10H11NO2S/c1-7-2-4-8(5-3-7)9-6-10(12)11-14(9)13/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyQPFOCFVRPOCLCK-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.22
Rot. Bonds1

About 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one

5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one (PubChem CID 67121813) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one
PubChem CID67121813
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one
SMILESCc1ccc(C2CC(=O)NS2=O)cc1
InChIInChI=1S/C10H11NO2S/c1-7-2-4-8(5-3-7)9-6-10(12)11-14(9)13/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyQPFOCFVRPOCLCK-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one?
The IUPAC name of 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one (CID 67121813) is 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one?
The canonical SMILES for 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one is Cc1ccc(C2CC(=O)NS2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one?
The InChIKey is QPFOCFVRPOCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-2-4-8(5-3-7)9-6-10(12)11-14(9)13/h2-5,9H,6H2,1H3,(H,11,12).
What are the key properties of 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one?
5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-oxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 67121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).