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1-(4-Methoxymethyl-2-phenyl-thiazol-5-yl)-ethanone

HCID 9878159
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1nc(-c2ccccc2)sc1C(C)=O
InChIKey
ROSLJVSDIWDFRT-UHFFFAOYSA-N
Molecular formula
C13H13NO2S
Average molar mass
247.31 g/mol
Monoisotopic mass
247.06669983

Names & identifiers

Preferred name
1-(4-Methoxymethyl-2-phenyl-thiazol-5-yl)-ethanone
IUPAC
1-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone

Names & synonyms

1-(4-Methoxymethyl-2-phenyl-thiazol-5-yl)-ethanone351428-24-5SCHEMBL6334353ROSLJVSDIWDFRT-UHFFFAOYSA-NDB-290775

Database identifiers

PubChem CID
9878159

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
266

Related reactions

5 records
New reaction record
HRID 396388 reaction equation
HRID 396388As productuspto-grants-2003_08
HRID 396389 reaction equation
HRID 396389As reactantuspto-grants-2003_08
HRID 585101 reaction equation
HRID 585101As productuspto-grants-2005_08
HRID 585102 reaction equation
HRID 585102As reactantuspto-grants-2005_08
HRID 1132010 reaction equation
HRID 1132010As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes