Basic information
- Standard SMILES
Cc1ccc(-c2nsc(N3CCNCC3)n2)cc1- InChIKey
YSWNXLSPRXZHPT-UHFFFAOYSA-N- Molecular formula
- C13H16N4S
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.1095677
Names & identifiers
- Preferred name
- 1-[3-(4-Methylphenyl)-1,2,4-thiadiazol-5-yl]piperazine
- IUPAC
- 3-(4-methylphenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
Names & synonyms
1-[3-(4-Methylphenyl)-1,2,4-thiadiazol-5-yl]piperazine1062512-48-4MFCD281565575-piperazin-1-yl-3-(p-tolyl)-1,2,4-thiadiazoleSCHEMBL4483992YSWNXLSPRXZHPT-UHFFFAOYSA-NAKOS0407679161-(3-p-Tolyl-[1,2,4]thiadiazol-5-yl)-piperazine5-(piperazin-1-yl)-3-p-tolyl-1,2,4-thiadiazole3-(4-methylphenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
Database identifiers
- PubChem CID
- 57712258
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 262
Related reactions
2 records
Compound notes
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