Acetamide, N-[3-[2-(4-nitrophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-

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Basic information

CAS: 62284-56-4
Standard SMILES: CC(=O)N=c1sccn1CC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: QRUJUBAZSXGARF-UHFFFAOYSA-N
Molecular formula: C13H11N3O4S
Average molar mass: 305.31 g/mol
Monoisotopic mass: 305.04702701

Names & identifiers

Preferred name: Acetamide, N-[3-[2-(4-nitrophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-
IUPAC: N-[3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide

Names & synonyms

62284-56-4Acetamide, N-[3-[2-(4-nitrophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-N-[3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2(3H)-ylidene]acetamideMLS000571728N-(3-(2-{4-nitrophenyl}-2-oxoethyl)-1,3-thiazol-2(3H)-ylidene)acetamideN-[3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamideOprea1_400580CHEMBL1985310DTXSID00358073HMS2456H22AKOS025151913SMR000193740

Show more names

AB00684239-01AG-205/07852019SR-01000224325SR-01000224325-1N-[(2Z)-3-[2-(4-Nitrophenyl)-2-oxoethyl]-1,3-thiazol-2(3H)-ylidene]acetamideN~1~-[3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2(3H)-yliden]acetamide

Database identifiers

CAS: 62284-56-4
PubChem CID: 876358
DTXSID: DTXSID00358073
ChEMBL: CHEMBL1985310

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 121 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 504

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Compound notes

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