AC1N4XAJ
4-benzyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: Oprea1_529723|4-benzyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|F0417-1430|4-benzyl-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide|4-benzyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide|4-benzyl-N-[5-(1,3-thiazol-2-ylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C21H17N5O2S3 |
|---|---|
| Molecular Weight | 467.05444 g/mol |
| LogP | 4.5685 |
| Topological Polar Surface Area | 96.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.05444 |
| Monoisotopic Mass | 467.05444 |
| Heavy Atoms | 31 |
| Complexity | 1145.5039 |
Chemical Identifiers
| CAS Number | 392299-73-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 |
Product Overview
AC1N4XAJ (CAS 392299-73-9), with molecular formula C21H17N5O2S3 and molecular weight 467.05444 g/mol. IUPAC: 4-benzyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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