Methyl 5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-1,3,4-thiadiazole-2-carboxylate

HCID 58392977
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Basic information

Standard SMILES
COC(=O)c1nnc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)s1
InChIKey
CJIOLYVXOCELND-UHFFFAOYSA-N
Molecular formula
C15H19N3O5S2
Average molar mass
385.5 g/mol

Names & identifiers

Preferred name
Methyl 5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-1,3,4-thiadiazole-2-carboxylate
IUPAC
methyl 5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxylate

Names & synonyms

SCHEMBL1935134CJIOLYVXOCELND-UHFFFAOYSA-Nmethyl 5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-1,3,4-thiadiazole-2-carboxylate

Database identifiers

PubChem CID
58392977

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
135 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
25

Related reactions

4 records
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Linked notes

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