2-{[2-(4-Isopropyl-phenoxy)-acetylamino]-methyl}-thiazole-4-carboxylic acid [2-(3-chloro-phenyl)-ethyl]-amide

HCID 57787015

Notes Reactions

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Basic information

Standard SMILES: CC(C)c1ccc(OCC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1
InChIKey: FGNAACRPHSEEJB-UHFFFAOYSA-N
Molecular formula: C24H26ClN3O3S
Average molar mass: 472 g/mol

Names & identifiers

Preferred name: 2-{[2-(4-Isopropyl-phenoxy)-acetylamino]-methyl}-thiazole-4-carboxylic acid [2-(3-chloro-phenyl)-ethyl]-amide
IUPAC: N-[2-(3-chlorophenyl)ethyl]-2-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

Names & synonyms

SCHEMBL2174484FGNAACRPHSEEJB-UHFFFAOYSA-N2-{[2-(4-Isopropyl-phenoxy)-acetylamino]-methyl}-thiazole-4-carboxylic acid [2-(3-chloro-phenyl)-ethyl]-amide

Database identifiers

PubChem CID: 57787015

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 32
Formal charge: 0
Complexity: 601

Related reactions

2 records

New reaction record

HRID 950565As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1009204As productuspto-grants-2011_07

Compound notes

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