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Basic information
- Standard SMILES
CC(C)N1CCN(c2nc3cc(CN(C)C)ccc3s2)CC1- InChIKey
WVWDQWUNCAJGIM-UHFFFAOYSA-N- Molecular formula
- C17H26N4S
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.18781802
Names & identifiers
- Preferred name
- [2-(4-Isopropylpiperazin-1-yl)benzothiazol-5-yl-methyl]dimethylamine
- IUPAC
- N,N-dimethyl-1-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine
Names & synonyms
SCHEMBL3468795WVWDQWUNCAJGIM-UHFFFAOYSA-N[2-(4-isopropylpiperazin-1-yl)benzothiazol-5-yl-methyl]dimethylamine
Database identifiers
- PubChem CID
- 23728895
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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