N-(3-Amino-2,2-difluoro-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide

HCID 22019140
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Basic information

Standard SMILES
NCC(F)(F)CNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIKey
NIBMBHZXUQURJR-UHFFFAOYSA-N
Molecular formula
C19H19F3N6OS
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
N-(3-Amino-2,2-difluoro-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide
IUPAC
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

Names & synonyms

N-(3-Amino-2,2-difluoro-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamideSCHEMBL2853908

Database identifiers

PubChem CID
22019140

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
133 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
30

Related reactions

6 records
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Linked notes

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