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Fanetizole

CAT: 0804-HY-138572-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138572-01Size:1 mg
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Description
Fanetizole is an anti-inflammatory agent. Fanetizole can be used for inflammatory diseases research[1].
CAS Number
79069-94-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/fanetizole.html
Solubility
10 mM in DMSO
Smiles
C1(NCCC2=CC=CC=C2)=NC(C3=CC=CC=C3)=CS1
Molecular Formula
C17H16N2S
Molecular Weight
280.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Storm Hassell-Hart, et al. Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction. Org Lett. 2022 Nov 4;24 (43) :7924-7927.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine

Fanetizole is a small molecule drug. Fanetizole has a monoisotopic molecular weight of 280.1 Da.

CAS Number79069-94-6
PubChem CID54339
IUPAC Name4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
Molecular FormulaC17H16N2S
Molecular Weight280.4
XLogP4.9
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity272
SMILES
C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2S/c1-3-7-14(8-4-1)11-12-18-17-19-16(13-20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,19)
InChIKey
WEEYMMXMBFJUAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CAS: 79069-94-6
CID: 54339
Formula: C17H16N2S
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass280.10341969
Monoisotopic Mass280.10341969
Topological Polar Surface Area53.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3612162-01Fanetizole
T8608L-01Fanetizole mesylate

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