Basic information
- CAS
878909-66-1- Standard SMILES
CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)cc1- InChIKey
XOUBSWCVFJNQPC-UHFFFAOYSA-N- Molecular formula
- C19H18N4O4S
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.10487624
Names & identifiers
- Preferred name
- N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
- IUPAC
- N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
Names & synonyms
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamideN-(3-{[4-(4-Acetamidophenyl)-1,3-thiazol-2-yl]amino}-3-oxopropyl)furan-2-carboxamideMLS002251747CHEMBL1718178DTXSID401330280HMS3092F20AKOS017039173878909-66-1SMR001314128Z27057089
Database identifiers
- CAS
878909-66-1- PubChem CID
- 9502265
- DTXSID
DTXSID401330280- ChEMBL
CHEMBL1718178
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 568
Experimental & physicochemical properties
Solubility11.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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