5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

HCID 10073482

Basic information

Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCN3CCCC3)c2C(N)=O)c(F)c1F
InChIKey
AHTAYKWZFAVPQM-UHFFFAOYSA-N
Molecular formula
C20H24F3N5O3S
Average molar mass
471.5 g/mol
Monoisotopic mass
471.1551953

Names & identifiers

Preferred name
5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide
IUPAC
5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide

Names & synonyms

SCHEMBL378793AHTAYKWZFAVPQM-UHFFFAOYSA-N5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

Database identifiers

PubChem CID
10073482

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
32

Related reactions

4 records

Linked notes

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