Basic information
- Standard SMILES
CCOC(=O)c1sc(-c2ccc(OC(C)C)c([N+](=O)[O-])c2)nc1C- InChIKey
WIKSJHCOIUKILR-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.09364285
Names & identifiers
- Preferred name
- Ethyl 2-(4-isopropoxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylate
- IUPAC
- ethyl 4-methyl-2-(3-nitro-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL8866949WIKSJHCOIUKILR-UHFFFAOYSA-Nethyl 2-(4-isopropoxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylateethyl 4-methyl-2-[3-nitro-4-(propan-2-yloxy)phenyl]-1,3-thiazole-5-carboxylate
Database identifiers
- PubChem CID
- 19965110
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
4 records
Compound notes
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