KIN-1148 50mg

CAT: 0628-A17155-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17155-50Size:50 mg

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CAS Number

1428729-56-9

Chemical Information

N-Benzo[1,2-d:3,4-d']bisthiazol-2-yl-2-naphthalenecarboxamide

KIN1148, a small-molecule IRF3 agonist, is a novel influenza vaccine adjuvant found to enhance flu vaccine efficacy.

CAS Number	1428729-56-9
PubChem CID	71549151
IUPAC Name	N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
Molecular Formula	C19H11N3OS2
Molecular Weight	361.4
XLogP	5.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	519

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC4=C(S3)C5=C(C=C4)SC=N5

InChI

InChI=1S/C19H11N3OS2/c23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15/h1-10H,(H,21,22,23)

InChIKey

YAISOECYKYATLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1428729-56-9

CID: 71549151

Formula: C19H11N3OS2

MW: 361.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.4
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	361.03435433
Monoisotopic Mass	361.03435433
Topological Polar Surface Area	111 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes