Basic information
- CAS
95882-84-1- Standard SMILES
CC(C)Cc1cc(NC(=O)N(C)C(C)C)sn1- InChIKey
FXENXNNLADNVOI-UHFFFAOYSA-N- Molecular formula
- C12H21N3OS
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.14053348
Names & identifiers
- Preferred name
- N-Methyl-N-isopropyl-N'-(3-isobutyl-5-isothiazolyl)urea
- IUPAC
- 1-methyl-3-[3-(2-methylpropyl)-1,2-thiazol-5-yl]-1-propan-2-ylurea
Names & synonyms
N-Methyl-N-isopropyl-N'-(3-isobutyl-5-isothiazolyl)ureaDTXSID7073721Urea, N-methyl-N-(1-methylethyl)-N'-(3-(2-methylpropyl)-5-isothiazolyl)-RefChem:364583DTXCID004897395882-84-1SCHEMBL11120094N-Methyl-N'-[3-(2-methylpropyl)-1,2-thiazol-5-yl]-N-(propan-2-yl)urea
Database identifiers
- CAS
95882-84-1- PubChem CID
- 175654
- DTXSID
DTXSID7073721
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
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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