Basic information
- CAS
5656-37-1- Standard SMILES
O=C(NCc1ccccc1)C(=O)Nc1nccs1- InChIKey
LUTGLJSHMVRPAY-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2S
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.05719778
Names & identifiers
- Preferred name
- Stk050261
- IUPAC
- N-benzyl-N'-(1,3-thiazol-2-yl)oxamide
Names & synonyms
5656-37-1STK050261DTXSID90367316RefChem:382079DTXCID00318354N-benzyl-N'-1,3-thiazol-2-ylethanediamideN~1~-benzyl-N~2~-(1,3-thiazol-2-yl)ethanediamideN-benzyl-N'-(1,3-thiazol-2-yl)ethanediamideN-benzyl-N'-(1,3-thiazol-2-yl)oxamideCambridge id 5656371MLS000708215CHEMBL1495318
Show more names
HMS2719A06AKOS000342784SMR000287682ST50003675AB00092024-01N'-benzyl-N-(1,3-thiazol-2-yl)ethane-1,2-diamide
Database identifiers
- CAS
5656-37-1- PubChem CID
- 2255346
- DTXSID
DTXSID90367316- ChEMBL
CHEMBL1495318
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
Solubility3.1 [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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