Basic information
- Standard SMILES
CC(C)(C)NCC(O)COc1ccc(-c2csnn2)cc1- InChIKey
KFIYHBNYSDBJOY-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.13544809
Names & identifiers
- Preferred name
- Propan-2-ol, 1-tert-butylamino-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-
- IUPAC
- 1-(tert-butylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
Names & synonyms
Maybridge3_006246Oprea1_033330SCHEMBL11768744HMS1448L20IDI1_017633BRD-A89586306-001-01-84-[4(3-t-butylamino-2-hydroxypropoxy)phenyl]-1,2,3-thiadiazole1-(tert-Butylamino)-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-2-propanol #Propan-2-ol, 1-tert-butylamino-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-
Database identifiers
- PubChem CID
- 559440
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
2 records
Compound notes
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