2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
Basic information
- CAS
17969-16-3- Standard SMILES
NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1- InChIKey
RLOFEQQGBMPQSA-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2OS
- Average molar mass
- 297.17 g/mol
- Monoisotopic mass
- 295.9619
Names & identifiers
- Preferred name
- 2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
- IUPAC
- 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
- English name
- 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
- Molecular formula
- C11H9BrN2OS
- Molecular weight
- 297.17
Names & synonyms
2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide17969-16-32-(4-(4-Bromophenyl)thiazol-2-yl)acetamide2-(4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL)ACETAMIDETimTec1_002806Oprea1_279640Oprea1_285768MLS000681498CHEMBL1609713SCHEMBL12492865RLOFEQQGBMPQSA-UHFFFAOYSA-NHMS1541P12
Show more names
2-Thiazoleacetamide, 4-(4-bromophenyl)-
HMS2569E24SBB038168STK017737AKOS000268394CCG-110025NCGC00173726-01SMR000269176ST038154
Database identifiers
- CAS
17969-16-3- PubChem CID
- 560765
- ChEMBL
CHEMBL1609713- EC Number
- 121-002-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 166 · 166-168 °C(Solv: ethanol (64-17-5))
- Boiling point
- 490.1 · 490.1±30.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.40(Predicted)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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. 3 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…