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

C10H11NOS — CID 23215000

IUPAC2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1NC(=O)CS1
InChIInChI=1S/C10H11NOS/c1-7-4-2-3-5-8(7)10-11-9(12)6-13-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyPXZPXFHUJCLESQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.86
Rot. Bonds1

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

2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 23215000) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID23215000
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1NC(=O)CS1
InChIInChI=1S/C10H11NOS/c1-7-4-2-3-5-8(7)10-11-9(12)6-13-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyPXZPXFHUJCLESQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 23215000) is 2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1NC(=O)CS1.
What is the InChIKey of 2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PXZPXFHUJCLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-4-2-3-5-8(7)10-11-9(12)6-13-10/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylphenyl)-1,3-thiazolidin-4-one?
2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 193.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23215000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).