2-[4-(4-Acetyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester

HCID 69201307

Basic information

Standard SMILES
COC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)s1
InChIKey
MVLZCGUQAASTDZ-UHFFFAOYSA-N
Molecular formula
C17H19N3O5S2
Average molar mass
409.5 g/mol

Names & identifiers

Preferred name
2-[4-(4-Acetyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester
IUPAC
methyl 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

Names & synonyms

SCHEMBL4813503MVLZCGUQAASTDZ-UHFFFAOYSA-N2-[4-(4-acetyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester2-[4-(4-actyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester

Database identifiers

PubChem CID
69201307

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
134 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
27

Related reactions

4 records

Compound notes

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