6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Basic information
- CAS
82588-41-8- Standard SMILES
O=Cc1c(-c2ccc(Cl)cc2)nc2sccn12- InChIKey
DDZYUQDDVHXBIQ-UHFFFAOYSA-N- Molecular formula
- C12H7ClN2OS
- Average molar mass
- 262.72 g/mol
- Monoisotopic mass
- 261.9967617
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- IUPAC
- 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- Molecular formula
- C12H7ClN2OS
- Molecular weight
- 262.71
Names & synonyms
82588-41-86-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde6-(4-Chlorophenyl)imidazo[2,1-b]thiazole-5-carbaldehydeMFCD001395956-(4-Chloro-phenyl)-imidazo[2,1-b]thiazole-5-carboxaldehydeNSC332721SCHEMBL4769730DTXSID30318569SBB085203AKOS0050699423E-307SNSC-332721
Show more names
BUTTPARK 2\01-466-(4-CHLORO-PHENYL)-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolecarboxaldehydeImidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(4-chlorophenyl)-
DB-056637CS-0315576G85822F015741F1996-00266-(4-chlorophenyl)imidazo[2,1-b][1,3]thi-azole-5-carbaldehyde6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole -5-carbaldehyde6-(4-chlorophenyl)imidazo[2,1-b]1,3-thiazoline-5-carbaldehyde
Database identifiers
- CAS
82588-41-8- PubChem CID
- 333013
- DTXSID
DTXSID30318569
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 192 · 192-195°C
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses6-(4-Chlorophenyl)imidazo[2,1-B][1,3]thiazole-5-carbaldehyde is an intermediate in the synthesis of CITCO (C433048) which is a cell-permeable imidazothiazole compound that acts a CAR agonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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