Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-methoxyphenyl)-, monohydriodide
Basic information
- CAS
69463-97-4- Standard SMILES
COc1ccc(C(=O)C[NH+](C2=NCCN2)c2nnc(C(C)C)s2)cc1.[I-]- InChIKey
XAMQYYWWEGEIMH-UHFFFAOYSA-N- Molecular formula
- C17H22IN5O2S
- Average molar mass
- 487.4 g/mol
- Monoisotopic mass
- 487.05389
Names & identifiers
- Preferred name
- Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-methoxyphenyl)-, monohydriodide
- IUPAC
- 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide
Names & synonyms
69463-97-4Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-methoxyphenyl)-, monohydriodideRefChem:1084582DTXSID7013844984,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium;iodide
Database identifiers
- CAS
69463-97-4- PubChem CID
- 50565
- DTXSID
DTXSID701384498
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
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Related reactions
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Compound notes
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