2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C13H13N3O5S — CID 135684170

IUPAC2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCN1C(=O)C(CC(=O)O)SC1=N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C13H13N3O5S/c1-16-12(21)10(5-11(19)20)22-13(16)15-14-6-7-2-3-8(17)4-9(7)18/h2-4,6,10,17-18H,5H2,1H3,(H,19,20)/b14-6+,15-13?
InChIKeyQFZUIBCBSXEMAY-JHEMOYSRSA-N
MW323.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 135684170) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID135684170
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Name2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCN1C(=O)C(CC(=O)O)SC1=N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C13H13N3O5S/c1-16-12(21)10(5-11(19)20)22-13(16)15-14-6-7-2-3-8(17)4-9(7)18/h2-4,6,10,17-18H,5H2,1H3,(H,19,20)/b14-6+,15-13?
InChIKeyQFZUIBCBSXEMAY-JHEMOYSRSA-N
XLogP0.84
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-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

Related Compounds

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 2779747
2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135601193
2-[(2E,5R)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136911111
2-[3-(4-hydroxyphenyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135607725
2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135828455
2-[(2Z,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6347757
2-[(2Z,5S)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6347839
2-[(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 5348494
2-[(2E,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6860125
2-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 53344437
2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 15500692

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 135684170) is 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is CN1C(=O)C(CC(=O)O)SC1=N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is QFZUIBCBSXEMAY-JHEMOYSRSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-16-12(21)10(5-11(19)20)22-13(16)15-14-6-7-2-3-8(17)4-9(7)18/h2-4,6,10,17-18H,5H2,1H3,(H,19,20)/b14-6+,15-13?.
What are the key properties of 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 323.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 135684170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).