2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid

C12H13NO3S — CID 10490970

IUPAC2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)O
InChIInChI=1S/C12H13NO3S/c1-8-4-2-3-5-9(8)12-13(6-11(15)16)10(14)7-17-12/h2-5,12H,6-7H2,1H3,(H,15,16)
InChIKeyGJFMPVKCUSNXHH-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid

2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 10490970) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
PubChem CID10490970
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)O
InChIInChI=1S/C12H13NO3S/c1-8-4-2-3-5-9(8)12-13(6-11(15)16)10(14)7-17-12/h2-5,12H,6-7H2,1H3,(H,15,16)
InChIKeyGJFMPVKCUSNXHH-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid (CID 10490970) is 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid is Cc1ccccc1C1SCC(=O)N1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is GJFMPVKCUSNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8-4-2-3-5-9(8)12-13(6-11(15)16)10(14)7-17-12/h2-5,12H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 251.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 10490970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).