Basic information
- Standard SMILES
CNC(=O)Nc1snc(OC(C)C)c1C#N- InChIKey
SPWLMJHKBNJHGB-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2S
- Average molar mass
- 240.28 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-(4-cyano-3-isopropoxy-5-isothiazolyl)urea
- IUPAC
- 1-(4-cyano-3-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylurea
Names & synonyms
SCHEMBL11707252SPWLMJHKBNJHGB-UHFFFAOYSA-N1-methyl-3-(4-cyano-3-isopropoxy-5-isothiazolyl)urea
Database identifiers
- PubChem CID
- 21396813
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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