Basic information
- Standard SMILES
OCCCOc1ccc(-c2nc3c(s2)CCCC3)cn1- InChIKey
SXRWQVXNIAOXPX-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- 3-[5-(4,5,6,7-Tetrahydro-benzothiazol-2-yl)-pyridin-2-yloxy]-propan-1-ol
- IUPAC
- 3-[[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyridinyl]oxy]propan-1-ol
Names & synonyms
SCHEMBL2000651SXRWQVXNIAOXPX-UHFFFAOYSA-N3-[5-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-pyridin-2-yloxy]-propan-1-ol
Database identifiers
- PubChem CID
- 57845366
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
5 records
Compound notes
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