2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid

C10H7N3O4S — CID 137208528

IUPAC2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(/N=N/c2ccc(O)cc2O)n1
InChIInChI=1S/C10H7N3O4S/c14-5-1-2-6(8(15)3-5)12-13-10-11-7(4-18-10)9(16)17/h1-4,14-15H,(H,16,17)/b13-12+
InChIKeyLNHRFZZAFMKCEC-OUKQBFOZSA-N
MW265.25 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid

2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 137208528) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID137208528
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Name2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(/N=N/c2ccc(O)cc2O)n1
InChIInChI=1S/C10H7N3O4S/c14-5-1-2-6(8(15)3-5)12-13-10-11-7(4-18-10)9(16)17/h1-4,14-15H,(H,16,17)/b13-12+
InChIKeyLNHRFZZAFMKCEC-OUKQBFOZSA-N
XLogP2.67
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic 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-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid (CID 137208528) is 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(/N=N/c2ccc(O)cc2O)n1.
What is the InChIKey of 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LNHRFZZAFMKCEC-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-5-1-2-6(8(15)3-5)12-13-10-11-7(4-18-10)9(16)17/h1-4,14-15H,(H,16,17)/b13-12+.
What are the key properties of 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid?
2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 137208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).