N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
Basic information
- CAS
51461-71-3- Standard SMILES
COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC- InChIKey
JEBBYIJCXLFPCX-UHFFFAOYSA-N- Molecular formula
- C12H22N4O3S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.14126175
Names & identifiers
- Preferred name
- N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
- IUPAC
- 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethoxyethyl)-1-methylurea
- English name
- 1-(2,2-dimethoxyethyl)-1-methyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea
- Molecular formula
- C12H22N4O3S
- Molecular weight
- 302.39
Names & synonyms
51461-71-3N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylureaDTXSID0074051N-(2,2-Dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazole-2-yl)-N-methylureaUrea, N-(2,2-dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N-methyl-Urea, N-(2,2-dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazole-2-yl)-N-methyl-N'-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N-(2,2-dimethoxyethyl)-N-methylurea1-(2,2-dimethoxyethyl)-1-methyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)ureaUrea, N-(2,2-dimethoxyethyl)-N'-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-
Database identifiers
- CAS
51461-71-3- PubChem CID
- 40020
- DTXSID
DTXSID0074051- Nikkaji
- J1.619.771H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- EPA Substance Registry System
- N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea (51461-71-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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