4-(5-Dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester

HCID 69199723

Basic information

Standard SMILES
COC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)s1
InChIKey
RSYMFJRVOZLTLB-UHFFFAOYSA-N
Molecular formula
C21H24N4O4S2
Average molar mass
460.6 g/mol

Names & identifiers

Preferred name
4-(5-Dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester
IUPAC
methyl 2-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

Names & synonyms

SCHEMBL4809284RSYMFJRVOZLTLB-UHFFFAOYSA-N2-[4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl]-thiazole-5-carboxlic acid methyl ester2-[4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester

Database identifiers

PubChem CID
69199723

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records

Compound notes

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