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5-Formyl-4-(1-(2-fluoro-4-biphenylyl)ethyl)-2-methylaminothiazole

HCID 19785543
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C=O)s1
InChIKey
SEWCHQSMSCAYBI-UHFFFAOYSA-N
Molecular formula
C19H17FN2OS
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
5-Formyl-4-(1-(2-fluoro-4-biphenylyl)ethyl)-2-methylaminothiazole
IUPAC
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carbaldehyde

Names & synonyms

SCHEMBL9461515SEWCHQSMSCAYBI-UHFFFAOYSA-N5-Formyl-4-(1-(2-fluoro-4-biphenylyl)ethyl)-2-methylaminothiazole

Database identifiers

PubChem CID
19785543

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
70.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
418

Related reactions

2 records
New reaction record
HRID 184521 reaction equation
HRID 184521As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 256771 reaction equation
HRID 256771As reactantuspto-grants-1993_11

Compound notes

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