3-(4-Methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Basic information
- CAS
92508-02-6- Standard SMILES
COc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]- InChIKey
BQXZLKXELCACIS-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.05211239
Names & identifiers
- Preferred name
- 3-(4-Methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
- IUPAC
- 3-(4-methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Names & synonyms
3-(4-methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole92508-02-6MLS001196761CHEMBL1610693DTXSID301319768HMS2883J05STL233126AKOS001644883SMR0005559003-(4-methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole
Database identifiers
- CAS
92508-02-6- PubChem CID
- 720501
- DTXSID
DTXSID301319768- ChEMBL
CHEMBL1610693
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Solubility40.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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