4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
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Basic information
- CAS
79069-94-6- Standard SMILES
c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1- InChIKey
WEEYMMXMBFJUAI-UHFFFAOYSA-N- Molecular formula
- C17H16N2S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.10341969
Names & identifiers
- Preferred name
- 4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
- IUPAC
- 4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
- English name
- Fanetizole
- Molecular formula
- C17H16N2S
- Molecular weight
- 280.39
Names & synonyms
Fanetizole79069-94-6FanetizolFanetizolumDTXSID9048695BH48F620JA2-Thiazolamine, 4-phenyl-N-(2-phenylethyl)-DTXCID90286214-Phenyl-N-(2-phenylethyl)-2-thiazolamineRefChem:5971532-phenethylamino-4-phenylthiazoleCP-48,810
Show more names
Fanetizole, 10 mM in DMSON-Phenethyl-4-phenylthiazole-2-amine
4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amineN-Phenethyl-4-phenylthiazol-2-amine2-Thiazolamine,4-phenyl-N-(2-phenylethyl)-MFCD00867578NCGC00160438-01CAS-79069-94-6Fanetizol [Spanish]Fanetizolum [Latin]
Database identifiers
- CAS
79069-94-6- PubChem CID
- 54339
- DTXSID
DTXSID9048695- ChEMBL
CHEMBL1993793- UNII
- BH48F620JA
- EC Number
- 978-821-7
- Nikkaji
- J33.090F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 459.6 · 459.6±48.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.87 · 3.87±0.10(Predicted)
- FDA UNII
- 48 F620JA · BH48F620JA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Applications
UsesImmunoregulator.
Suppliers
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Related reactions
6 records
Compound notes
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