Basic information
- Standard SMILES
CCOC(=O)C(=CNc1cc(C)ns1)C(=O)OCC- InChIKey
RCFGXAUGOZGVSX-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-[(3-methylisothiazol-5-ylamino)methylene]malonate
- IUPAC
- diethyl 2-[[(3-methyl-1,2-thiazol-5-yl)amino]methylidene]propanedioate
Names & synonyms
diethyl 2-[(3-methylisothiazol-5-ylamino)methylene]malonateDiethyl 2-((3-methylisothiazol-5-ylamino)methylene)malonate65476-04-2SCHEMBL2818243RCFGXAUGOZGVSX-UHFFFAOYSA-NDB-307826
Database identifiers
- PubChem CID
- 10401616
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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