3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

C10H9NO2S — CID 1425078

IUPAC3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)CSC1=O
InChIInChI=1S/C10H9NO2S/c1-7-4-2-3-5-8(7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3
InChIKeyPEXPJQYCDNCTCC-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.19
Rot. Bonds1

About 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1425078) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID1425078
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)CSC1=O
InChIInChI=1S/C10H9NO2S/c1-7-4-2-3-5-8(7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3
InChIKeyPEXPJQYCDNCTCC-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 1425078) is 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)CSC1=O.
What is the InChIKey of 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is PEXPJQYCDNCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-4-2-3-5-8(7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 207.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1425078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).