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[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]-2-fluorophenyl]methyl N-aminocarbamate

HCID 44159727
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1nc(CCc2ccc(COC(=O)NN)c(F)c2)cs1
InChIKey
SSWUCLNHDLHCBI-UHFFFAOYSA-N
Molecular formula
C15H17FN4O3S
Average molar mass
352.4 g/mol

Names & identifiers

Preferred name
[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]-2-fluorophenyl]methyl N-aminocarbamate
IUPAC
[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]-2-fluorophenyl]methyl N-aminocarbamate

Names & synonyms

SCHEMBL971882

Database identifiers

PubChem CID
44159727

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
443

Related reactions

1 records
New reaction record
HRID 179807 reaction equation
HRID 179807As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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