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

HCID 10072613

Basic information

Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCN3CCCC3)c2C(N)=O)c(F)c1
InChIKey
QYQQDBQNTUOFJL-UHFFFAOYSA-N
Molecular formula
C20H25F2N5O3S
Average molar mass
453.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL378401QYQQDBQNTUOFJL-UHFFFAOYSA-N3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-pyrrolidin-1-yl-propyl)-ureido]-isothiazole-4-carboxylic acid amide

Database identifiers

PubChem CID
10072613

Properties

Computed structural properties

XLogP
3
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
31

Related reactions

5 records

Compound notes

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