N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
Basic information
- CAS
54400-59-8- Standard SMILES
CC(C)C(=O)Nc1cccc(C2CN3CCSC3=N2)c1- InChIKey
YWDWYOALXURQPZ-UHFFFAOYSA-N- Molecular formula
- C15H19N3OS
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.12488341
Names & identifiers
- Preferred name
- N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
- IUPAC
- 2-methyl-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamide
Names & synonyms
N-(3-{2H,3H,5H,6H-IMIDAZO[2,1-B][1,3]THIAZOL-6-YL}PHENYL)-2-METHYLPROPANAMIDEN-(3-(2H,3H,5H,6H-imidazo(2,1-b)(1,3)thiazol-6-yl)phenyl)-2-methylpropanamideRefChem:826038868-698-754496-44-5SCHEMBL165732CHEMBL2110807Tox21_1136802-methyl-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamideNCGC00249904-0149820-29-3CAS-54400-59-8
Show more names
NS00127065EN300-26189599
Database identifiers
- CAS
54400-59-8、54496-44-5- PubChem CID
- 166572
- DTXSID
DTXSID8057770- ChEMBL
CHEMBL2110807- EC Number
- 868-698-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…