Basic information
- CAS
701952-71-8- Standard SMILES
S=C(NCc1ccco1)N1CCN(c2ccccn2)CC1- InChIKey
OPCYVXWQRFWCIV-UHFFFAOYSA-N- Molecular formula
- C15H18N4OS
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.12013238
Names & identifiers
- Preferred name
- N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
- IUPAC
- N-(furan-2-ylmethyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Names & synonyms
701952-71-8N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamideN-(furan-2-ylmethyl)-4-pyridin-2-ylpiperazine-1-carbothioamideMLS000666373CHEMBL1572926DTXSID401333646HMS2688C16STK456477AKOS003326856SMR000294184ST50833966SR-01000276845
Show more names
SR-01000276845-1Z45762230[(2-furylmethyl)amino](4-(2-pyridyl)piperazinyl)methane-1-thioneN-(furan-2-ylmethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamideN-[(furan-2-yl)methyl]-4-(pyridin-2-yl)piperazine-1-carbothioamide
Database identifiers
- CAS
701952-71-8- PubChem CID
- 970504
- DTXSID
DTXSID401333646- ChEMBL
CHEMBL1572926
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Solubility42.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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