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

C16H20N2O2S — CID 24711901

IUPAC2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)N1CCCC1
InChIInChI=1S/C16H20N2O2S/c1-12-6-2-3-7-13(12)16-18(15(20)11-21-16)10-14(19)17-8-4-5-9-17/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyICOGOTWYQKEHSL-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.19
Rot. Bonds3

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

2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 24711901) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID24711901
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)N1CCCC1
InChIInChI=1S/C16H20N2O2S/c1-12-6-2-3-7-13(12)16-18(15(20)11-21-16)10-14(19)17-8-4-5-9-17/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyICOGOTWYQKEHSL-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 24711901) is 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1CC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is ICOGOTWYQKEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-6-2-3-7-13(12)16-18(15(20)11-21-16)10-14(19)17-8-4-5-9-17/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 304.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24711901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).