4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
Basic information
- CAS
105512-82-1- Standard SMILES
Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1- InChIKey
AZZJNMYKYSAYPZ-UHFFFAOYSA-N- Molecular formula
- C15H12N2OS
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.06703418
Names & identifiers
- Preferred name
- 4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
- IUPAC
- 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
- English name
- 4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
- Molecular formula
- C15H12N2OS
- Molecular weight
- 268.33
Names & synonyms
105512-82-14-(4-Phenoxy-phenyl)-thiazol-2-ylamineDTXSID40354731RefChem:288229DTXCID703057914-(4-phenoxyphenyl)-1,3-thiazol-2-amine4-(4-phenoxyphenyl)thiazol-2-amineMFCD00713365MLS001209112SMR0005158264-(4-phenoxyphenyl)-1,3-thiazole-2-ylamineOprea1_187286
Show more names
IFLAB-BB F1386-03812-Thiazolamine, 4-(4-phenoxyphenyl)-
Oprea1_308130cid_780598IFLab1_000357SCHEMBL6256294CHEMBL1442590BDBM93877HMS1413A05HMS2827O21
Database identifiers
- CAS
105512-82-1- PubChem CID
- 780598
- DTXSID
DTXSID40354731- ChEMBL
CHEMBL1442590- EC Number
- 108-780-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Solubility12.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 117 °C · 117 °C(Solv: ethanol (64-17-5))
- Boiling point
- 456.2 · 456.2±28.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.10(Predicted)
- form
- solid
- InChI
- 1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
- InChIKey
- AZZJNMYKYSAYPZ-UHFFFAOYSA-N
- SMILES
- NC1=NC(C(C=C2)=CC=C2OC3=CC=CC=C3)=CS1
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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