Basic information
- Standard SMILES
Cc1nsc(N2CCC(Nc3nc4c(s3)CCCC4c3ccccc3)CC2)n1- InChIKey
NCXNZUJYTBCFNL-UHFFFAOYSA-N- Molecular formula
- C21H25N5S2
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.15513817
Names & identifiers
- Preferred name
- [1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
- IUPAC
- N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Names & synonyms
SCHEMBL2275597NCXNZUJYTBCFNL-UHFFFAOYSA-N[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
Database identifiers
- PubChem CID
- 53354635
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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