Basic information
- Standard SMILES
COc1ccc(N(C)CC2CCOCC2)c2sc(N)nc12- InChIKey
AHJLJFUASWMLQF-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2S
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 4-methoxy-N7-methyl-N7-(tetrahydro-pyran-4-ylmethyl)-benzothiazole-2,7-diamine
- IUPAC
- 4-methoxy-7-N-methyl-7-N-(oxan-4-ylmethyl)-1,3-benzothiazole-2,7-diamine
Names & synonyms
SCHEMBL6874897AHJLJFUASWMLQF-UHFFFAOYSA-N4-methoxy-N7-methyl-N7-(tetrahydro-pyran-4-ylmethyl)-benzothiazole-2,7-diamine
Database identifiers
- PubChem CID
- 22737005
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
6 records
Compound notes
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