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N-(3-((5-(4-cyanophenyl)thiazol-2-yl)amino)phenyl)methanesulfonamide

HCID 71471997
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)s2)c1
InChIKey
YWYVZHXXMDMQHT-UHFFFAOYSA-N
Molecular formula
C17H14N4O2S2
Average molar mass
370.5 g/mol
Monoisotopic mass
370.05581805

Names & identifiers

Preferred name
N-(3-((5-(4-cyanophenyl)thiazol-2-yl)amino)phenyl)methanesulfonamide
IUPAC
N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL14057833YWYVZHXXMDMQHT-UHFFFAOYSA-NN-(3-((5-(4-cyanophenyl)thiazol-2-yl)amino)phenyl)methanesulfonamide

Database identifiers

PubChem CID
71471997

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
590

Related reactions

4 records
New reaction record
HRID 118048 reaction equation
HRID 118048As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 537881 reaction equation
HRID 537881As productuspto-grants-2014_10
HRID 1035833 reaction equation
HRID 1035833As productuspto-grants-2013_10
HRID 1038449 reaction equation
HRID 1038449As productuspto-grants-2013_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes