Basic information
- CAS
866137-09-9- Standard SMILES
CCOC(=O)C1CCN(c2ncc(Cn3ccnc3)s2)CC1- InChIKey
LDPKTEJJLCJTND-UHFFFAOYSA-N- Molecular formula
- C15H20N4O2S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.13069707
Names & identifiers
- Preferred name
- ethyl 1-[5-(1H-imidazol-1-ylmethyl)-1,3-thiazol-2-yl]-4-piperidinecarboxylate
- IUPAC
- ethyl 1-[5-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
- English name
- Ethyl 1-[5-(1H-imidazol-1-ylmethyl)-1,3-thiazol-2-yl]-4-piperidinecarboxylate
- Molecular formula
- C15H20N4O2S
- Molecular weight
- 320.41
Names & synonyms
866137-09-9ethyl 1-[5-(1H-imidazol-1-ylmethyl)-1,3-thiazol-2-yl]-4-piperidinecarboxylateethyl 1-{5-[(1H-imidazol-1-yl)methyl]-1,3-thiazol-2-yl}piperidine-4-carboxylateethyl 1-[5-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylateDTXSID801150262AKOS0051024468T-0089Ethyl 1-[5-(1H-imidazol-1-ylmethyl)-2-thiazolyl]-4-piperidinecarboxylateEthyl 1-(5-((1H-imidazol-1-yl)methyl)thiazol-2-yl)piperidine-4-carboxylateethyl1-{5-[(1H-imidazol-1-yl)methyl]-1,3-thiazol-2-yl}piperidine-4-carboxylate4-Piperidinecarboxylic acid, 1-[5-(1H-imidazol-1-ylmethyl)-2-thiazolyl]-, ethyl ester
Database identifiers
- CAS
866137-09-9- PubChem CID
- 3674518
- DTXSID
DTXSID801150262
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 503.2 · 503.2±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.12(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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