Butanoic acid, 4-((4-methoxyphenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
Basic information
- CAS
171088-74-7- Standard SMILES
COc1ccc(NC(=O)CCC(=O)O)cc1.NC1=NCCS1- InChIKey
GLEMCTVKJLMGRO-UHFFFAOYSA-N- Molecular formula
- C14H19N3O4S
- Average molar mass
- 325.39 g/mol
- Monoisotopic mass
- 325.10962727
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-methoxyphenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
- IUPAC
- 4,5-dihydro-1,3-thiazol-2-amine;4-(4-methoxyanilino)-4-oxobutanoic acid
Names & synonyms
171088-74-7DTXSID40169004RefChem:330865DTXCID40914954-(4-Methoxyanilino)-4-oxobutanoic acid--4,5-dihydro-1,3-thiazol-2-amine (1/1)
Database identifiers
- CAS
171088-74-7- PubChem CID
- 3075014
- DTXSID
DTXSID40169004
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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