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2,4-dimethyl-N-{[(2-{4-[5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}ethyl)amino]carbonyl}-1,3-thiazole-5-sulfonamide

HCID 22244683
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(C)c(S(=O)(=O)NC(=O)NCCc2ccc(-n3nc(C(F)(F)F)c(-c4ccccc4)c3C)cc2)s1
InChIKey
PIXDFQYKWVTBPZ-UHFFFAOYSA-N
Molecular formula
C25H24F3N5O3S2
Average molar mass
563.6 g/mol

Names & identifiers

Preferred name
2,4-dimethyl-N-{[(2-{4-[5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}ethyl)amino]carbonyl}-1,3-thiazole-5-sulfonamide
IUPAC
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-[2-[4-[5-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]urea

Names & synonyms

2,4-dimethyl-N-{[(2-{4-[5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}ethyl)amino]carbonyl}-1,3-thiazole-5-sulfonamideSCHEMBL6098413

Database identifiers

PubChem CID
22244683

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
143 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
38
Formal charge
0
Complexity
905

Related reactions

2 records
New reaction record
HRID 99987 reaction equation
HRID 99987As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 891134 reaction equation
HRID 891134As productuspto-grants-2006_02

Compound notes

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