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

C11H13NOS — CID 13092662

IUPAC4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
SMILESCc1ccc(C2SC(=O)NC2C)cc1
InChIInChI=1S/C11H13NOS/c1-7-3-5-9(6-4-7)10-8(2)12-11(13)14-10/h3-6,8,10H,1-2H3,(H,12,13)
InChIKeyJETHLUKZEWJDMQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.88
Rot. Bonds1

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

4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one (PubChem CID 13092662) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
PubChem CID13092662
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
SMILESCc1ccc(C2SC(=O)NC2C)cc1
InChIInChI=1S/C11H13NOS/c1-7-3-5-9(6-4-7)10-8(2)12-11(13)14-10/h3-6,8,10H,1-2H3,(H,12,13)
InChIKeyJETHLUKZEWJDMQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The IUPAC name of 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one (CID 13092662) is 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one is Cc1ccc(C2SC(=O)NC2C)cc1.
What is the InChIKey of 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The InChIKey is JETHLUKZEWJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-3-5-9(6-4-7)10-8(2)12-11(13)14-10/h3-6,8,10H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 13092662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).