2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid

C12H12N2O3S — CID 3033215

IUPAC2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)C(CC(=O)O)NC1=S
InChIInChI=1S/C12H12N2O3S/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyDRHIDAVDPLVEBT-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid

2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid (PubChem CID 3033215) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
PubChem CID3033215
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)C(CC(=O)O)NC1=S
InChIInChI=1S/C12H12N2O3S/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyDRHIDAVDPLVEBT-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid (CID 3033215) is 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid is Cc1ccccc1N1C(=O)C(CC(=O)O)NC1=S.
What is the InChIKey of 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The InChIKey is DRHIDAVDPLVEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid has a molecular weight of 264.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 3033215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).