Basic information
- CAS
95882-58-9- Standard SMILES
CCN(CC)C(=O)Nc1cc(C(C)(C)C)ns1- InChIKey
GYIHINZFYQWRMV-UHFFFAOYSA-N- Molecular formula
- C12H21N3OS
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.14053348
Names & identifiers
- Preferred name
- N'-(3-tert-Butyl-5-isothiazolyl)-N,N-diethylurea
- IUPAC
- 3-(3-tert-butyl-1,2-thiazol-5-yl)-1,1-diethylurea
Names & synonyms
N'-(3-tert-Butyl-5-isothiazolyl)-N,N-diethylureaDTXSID3073719Urea, N'-(3-(1,1-dimethylethyl)-5-isothiazolyl)-N,N-diethyl-RefChem:358035DTXCID004897195882-58-9SCHEMBL11119728N'-(3-tert-Butyl-1,2-thiazol-5-yl)-N,N-diethylurea
Database identifiers
- CAS
95882-58-9- PubChem CID
- 175651
- DTXSID
DTXSID3073719
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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