N-Cyclopropylmethyl-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide

HCID 22019088
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Basic information

Standard SMILES
O=C(NCC1CC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIKey
IBEKHHZGXZXCBO-UHFFFAOYSA-N
Molecular formula
C20H20FN5OS
Average molar mass
397.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2871059IBEKHHZGXZXCBO-UHFFFAOYSA-NN-Cyclopropylmethyl-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide

Database identifiers

PubChem CID
22019088

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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