Basic information
- Standard SMILES
CN1CCN(CCNC(=O)Nc2nc3ccc(S)cc3s2)CC1- InChIKey
TVYIHWVJLODKBW-UHFFFAOYSA-N- Molecular formula
- C15H21N5OS2
- Average molar mass
- 351.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(4-Methylpiperazin-1-yl)ethyl]-3-(6-sulphanyl-1,3-benzothiazol-2-yl)urea
- IUPAC
- 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(6-sulfanyl-1,3-benzothiazol-2-yl)urea
Names & synonyms
SCHEMBL2799688TVYIHWVJLODKBW-UHFFFAOYSA-N1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(6-sulphanyl-1,3-benzothiazol-2-yl)urea
Database identifiers
- PubChem CID
- 86647880
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
3 records
Compound notes
Loading…