N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]butanediamide
Basic information
- CAS
714243-87-5- Standard SMILES
CCc1nnc(NC(=O)CCC(=O)NCc2ccc(OC)cc2)s1- InChIKey
NSMGAJPTCGOFBG-UHFFFAOYSA-N- Molecular formula
- C16H20N4O3S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.12561169
Names & identifiers
- Preferred name
- N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]butanediamide
- IUPAC
- N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]butanediamide
Names & synonyms
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]butanediamide714243-87-5MLS000762459CHEMBL1872717DTXSID301330449HMS2796N13STL151253AKOS005751011AKOS032389570SMR000437983N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-N'-(4-methoxy-benzyl)-succinamideN1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N4-(4-methoxybenzyl)succinamide
Show more names
N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methoxybenzyl)butanediamideN~1~-(5-Ethyl-1,3,4-thiadiazol-2-yl)-N~4~-[(4-methoxyphenyl)methyl]butanediamide
Database identifiers
- CAS
714243-87-5- PubChem CID
- 944993
- DTXSID
DTXSID301330449- ChEMBL
CHEMBL1872717
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility7.5 [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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