4-Fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid

HCID 22019056
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Basic information

Standard SMILES
O=C(O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIKey
XSRNYUNFNFTNCM-UHFFFAOYSA-N
Molecular formula
C16H13FN4O2S
Average molar mass
344.4 g/mol

Names & identifiers

Preferred name
4-Fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid
IUPAC
4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid

Names & synonyms

SCHEMBL2868236XSRNYUNFNFTNCM-UHFFFAOYSA-N4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid

Database identifiers

PubChem CID
22019056

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
24

Related reactions

9 records
New reaction record

Linked notes

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