Basic information
- Standard SMILES
NCC(O)COc1ccc(-c2csnn2)cc1- InChIKey
CMSWFQKXTGMJSN-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.07284784
Names & identifiers
- Preferred name
- 4-[4(3-Amino-2-hydroxypropoxy)phenyl]-1,2,3-thiadiazole
- IUPAC
- 1-amino-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
Names & synonyms
SCHEMBL11769622CMSWFQKXTGMJSN-UHFFFAOYSA-N4-[4(3-amino-2-hydroxypropoxy)phenyl]-1,2,3-thiadiazole
Database identifiers
- PubChem CID
- 21557596
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
2 records
Compound notes
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