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

HCID 69201003
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Basic information

Standard SMILES
COC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1
InChIKey
IJAQZEWBMCDXJN-UHFFFAOYSA-N
Molecular formula
C16H16F3N3O4S2
Average molar mass
435.4 g/mol

Names & identifiers

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

Names & synonyms

2-[4-(4-trifluoromethyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl esterSCHEMBL4812703

Database identifiers

PubChem CID
69201003

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
116 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
28

Related reactions

4 records
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Compound notes

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