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N-(2-acetyl-5-methoxyphenyl)-2-thiazolecarboxamide

HCID 57552136
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)=O)c(NC(=O)c2nccs2)c1
InChIKey
AATRMEPGOMTELE-UHFFFAOYSA-N
Molecular formula
C13H12N2O3S
Average molar mass
276.31 g/mol

Names & identifiers

Preferred name
N-(2-acetyl-5-methoxyphenyl)-2-thiazolecarboxamide
IUPAC
N-(2-acetyl-5-methoxyphenyl)-1,3-thiazole-2-carboxamide

Names & synonyms

SCHEMBL3284316AATRMEPGOMTELE-UHFFFAOYSA-NN-(2-acetyl-5-methoxyphenyl)-2-thiazolecarboxamide

Database identifiers

PubChem CID
57552136

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
96.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
351

Related reactions

2 records
New reaction record
HRID 180791 reaction equation
HRID 180791As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 643853 reaction equation
HRID 643853As productuspto-grants-2010_04

Compound notes

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