Basic information
- Standard SMILES
Clc1ccc(-c2nsc(N3CCNCC3)n2)cc1- InChIKey
LOYFASFXSZKNGO-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4S
- Average molar mass
- 280.78 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-(piperazin-1-yl)-1,2,4-thiadiazole
- IUPAC
- 3-(4-chlorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
Names & synonyms
1062512-47-33-(4-chlorophenyl)-5-(piperazin-1-yl)-1,2,4-thiadiazole1-[3-(4-Chlorophenyl)-1,2,4-thiadiazol-5-yl]piperazineMFCD259550523-(4-chlorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazoleSCHEMBL4482673LOYFASFXSZKNGO-UHFFFAOYSA-NAKOS027427768
Database identifiers
- PubChem CID
- 57712256
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
2 records
Compound notes
Loading…