Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-hydroxyphenyl)-, monohydriodide
Basic information
- CAS
69463-90-7- Standard SMILES
CC(C)c1nnc(N(CC(=O)c2ccc(O)cc2)C2=NCCN2)s1.I- InChIKey
QCRKYQAQBXYSAL-UHFFFAOYSA-N- Molecular formula
- C16H20IN5O2S
- Average molar mass
- 473.3 g/mol
- Monoisotopic mass
- 473.03824
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-hydroxyphenyl)-, monohydriodide
- IUPAC
- 2-[4,5-dihydro-1H-imidazol-2-yl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-1-(4-hydroxyphenyl)ethanone;hydroiodide
Names & synonyms
69463-90-7Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-1-(4-hydroxyphenyl)-, monohydriodideDTXSID00219635RefChem:341326DTXCID501421262-{(4,5-Dihydro-1H-imidazol-2-yl)[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}-1-(4-hydroxyphenyl)ethan-1-one--hydrogen iodide (1/1)
Database identifiers
- CAS
69463-90-7- PubChem CID
- 3053014
- DTXSID
DTXSID00219635
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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