2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C12H12N2O4S — CID 135836309

IUPAC2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCOc1ccc(/N=C2\NC(=O)C(CC(=O)O)S2)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-12-14-11(17)9(19-12)6-10(15)16/h2-5,9H,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeySCRCGDRXMXEVMK-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 135836309) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID135836309
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCOc1ccc(/N=C2\NC(=O)C(CC(=O)O)S2)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-12-14-11(17)9(19-12)6-10(15)16/h2-5,9H,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeySCRCGDRXMXEVMK-UHFFFAOYSA-N
XLogP1.39
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-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-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 135836309) is 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is COc1ccc(/N=C2\NC(=O)C(CC(=O)O)S2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is SCRCGDRXMXEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-12-14-11(17)9(19-12)6-10(15)16/h2-5,9H,6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 135836309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).