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

C14H14N2O4S — CID 3397838

IUPAC2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
SMILESC=CCN1C(=O)C(CC(=O)O)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-2-7-16-13(20)11(8-12(18)19)21-14(16)15-9-3-5-10(17)6-4-9/h2-6,11,17H,1,7-8H2,(H,18,19)/b15-14-
InChIKeyXOPAPKCKZKMHEX-PFONDFGASA-N
MW306.34 g/mol
LogP1.98
Rot. Bonds5

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

2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 3397838) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID3397838
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
SMILESC=CCN1C(=O)C(CC(=O)O)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-2-7-16-13(20)11(8-12(18)19)21-14(16)15-9-3-5-10(17)6-4-9/h2-6,11,17H,1,7-8H2,(H,18,19)/b15-14-
InChIKeyXOPAPKCKZKMHEX-PFONDFGASA-N
XLogP1.98
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-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-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid (CID 3397838) is 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid is C=CCN1C(=O)C(CC(=O)O)S/C1=N\c1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is XOPAPKCKZKMHEX-PFONDFGASA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-7-16-13(20)11(8-12(18)19)21-14(16)15-9-3-5-10(17)6-4-9/h2-6,11,17H,1,7-8H2,(H,18,19)/b15-14-.
What are the key properties of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 306.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 3397838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).