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[4-(4-Isopropyl-phenyl)-thiazol-2-ylsulfamoyl]-acetic acid

HCID 59520176
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)c1ccc(-c2csc(NS(=O)(=O)CC(=O)O)n2)cc1
InChIKey
XTQRTVMQFSSPSF-UHFFFAOYSA-N
Molecular formula
C14H16N2O4S2
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
[4-(4-Isopropyl-phenyl)-thiazol-2-ylsulfamoyl]-acetic acid
IUPAC
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfamoyl]acetic acid

Names & synonyms

SCHEMBL3452587XTQRTVMQFSSPSF-UHFFFAOYSA-N[4-(4-Isopropyl-phenyl)-thiazol-2-ylsulfamoyl]-acetic acid

Database identifiers

PubChem CID
59520176

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
133 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
482

Related reactions

2 records
New reaction record
HRID 300364 reaction equation
HRID 300364As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1162542 reaction equation
HRID 1162542As productuspto-grants-2010_10

Compound notes

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