CHEMBL4555781 structure

CHEMBL4555781

4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid

Also Known As: J3.587.734G|AS-871/41508781|4-[(E)-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid|4-[(1E)-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]benzoic acid|4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid|(E)-4-((2-(5-(ethoxycarbonyl)-4-methylthiazol-2-yl)hydrazono)methyl)benzoic acid|2-[2-(4-Carboxybenzylidene)hydrazino]-4-methylthiazole-5-carboxylic acid 5-ethyl ester|4-[[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic Acid|4-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbohydrazonoyl}benzoic acid|4-((1E)-2-{[5-(ethoxycarbonyl)-4-methyl(1,3-thiazol-2-yl)]amino}-2-azavinyl)be nzoic acid|4-({2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl)benzoic acid

CAS: 469877-18-7
Molecular Formula C15H15N3O4S
Molecular Weight 333.07834 g/mol
LogP 2.77242
Topological Polar Surface Area 100.88 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 333.07834
Monoisotopic Mass 333.07834
Heavy Atoms 23
Complexity 737.6803

Chemical Identifiers

CAS Number 469877-18-7
SMILES CCOC(=O)C1=C(N=C(S1)N/N=C/C2=CC=C(C=C2)C(=O)O)C

Product Overview

CHEMBL4555781 (CAS 469877-18-7), with molecular formula C15H15N3O4S and molecular weight 333.07834 g/mol. IUPAC: 4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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