Basic information
- Standard SMILES
COC(=O)C(C(C)C)N(C)C(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)s1- InChIKey
WTYQAMHTKWEJHH-UHFFFAOYSA-N- Molecular formula
- C17H19N3O5S
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.10454189
Names & identifiers
- Preferred name
- Methyl 3-methyl-2-(N-methyl-5-(4-nitrophenyl)thiazole-2-carboxamido)butanoate
- IUPAC
- methyl 3-methyl-2-[methyl-[5-(4-nitrophenyl)-1,3-thiazole-2-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL1756285WTYQAMHTKWEJHH-UHFFFAOYSA-NMethyl 3-methyl-2-(N-methyl-5-(4-nitrophenyl)thiazole-2-carboxamido)butanoate
Database identifiers
- PubChem CID
- 67150337
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Related reactions
3 records
Compound notes
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