6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Basic information
- CAS
83253-38-7- Standard SMILES
N#Cc1c(-c2ccccc2)nc2n1CCS2- InChIKey
IZQIKDXGZAUCPH-UHFFFAOYSA-N- Molecular formula
- C12H9N3S
- Average molar mass
- 227.29 g/mol
- Monoisotopic mass
- 227.05171847
Names & identifiers
- Preferred name
- 6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
- IUPAC
- 6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
- English name
- 6-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBONITRILE
- Molecular formula
- C12H9N3S
- Molecular weight
- 227.29
Names & synonyms
83253-38-76-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile6-phenyl-2H,3H-imidazo[2,1-b][1,3]thiazole-5-carbonitrileNSC332754Maybridge4_004035Oprea1_011433MLS000764190orb3030750CHEMBL1527012DTXSID70318588HMS1532H09HMS2683I11
Show more names
BUTTPARK 5\02-056-Phenyl-2,3-dihydroimidazo[2,1-b]thiazole-5-carbonitrileImidazo[2,1-b]thiazole-5-carbonitrile, 2,3-dihydro-6-phenyl-
Fr13424MFCD00268963SBB097160AKOS0051448183E-303SCCG-250574NSC-332754IDI1_032857
Database identifiers
- CAS
83253-38-7- PubChem CID
- 333044
- DTXSID
DTXSID70318588- ChEMBL
CHEMBL1527012
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Solubility7.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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