N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Basic information
- CAS
13938-65-3- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCC1=NCCS1- InChIKey
NXJWZSBUEOVHGW-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3S
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.11946368
Names & identifiers
- Preferred name
- N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
- IUPAC
- N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
- English name
- 2-[2-(2,4-Dihydroxy-3,3-dimethylbutyrylamino)ethyl]-2-thiazoline
- Molecular formula
- C11H20N2O3S
- Molecular weight
- 260.35
Names & synonyms
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide13938-65-3DTXSID107027652-[2-(2,4-Dihydroxy-3,3-dimethylbutyrylamino)ethyl]-2-thiazolineButanamide, N-[2-(4,5-dihydro-2-thiazolyl)ethyl]-2,4-dihydroxy-3,3-dimethyl-
Database identifiers
- CAS
13938-65-3- PubChem CID
- 53440751
- DTXSID
DTXSID10702765- Nikkaji
- J24.665D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 532.1 · 532.1±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…