Basic information
- Standard SMILES
CN1CCN(C(=S)Nc2cc3sc(C(C)(C)C)nc3cc2N2CCN(C)CC2)CC1- InChIKey
SFNSTVOLCIZNMN-UHFFFAOYSA-N- Molecular formula
- C22H34N6S2
- Average molar mass
- 446.7 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butyl-6[(4-methylpiperazin-1-yl)thiocarbonylamino]-5-(4-methyl-piperazin-1-yl)benzothiazole
- IUPAC
- N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-4-methylpiperazine-1-carbothioamide
Names & synonyms
SCHEMBL9455416SFNSTVOLCIZNMN-UHFFFAOYSA-N2-tert-butyl-6[(4-methylpiperazin-1-yl)thiocarbonylamino]-5-(4-methyl-piperazin-1-yl)benzothiazole
Database identifiers
- PubChem CID
- 19794192
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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