N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

HCID 5228902

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Basic information

CAS: 5416-23-9
Standard SMILES: Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)sc2c1
InChIKey: SPKPGIPUBXBSAW-UHFFFAOYSA-N
Molecular formula: C22H16N4O2S2
Average molar mass: 432.5 g/mol
Monoisotopic mass: 432.07146811

Names & identifiers

Preferred name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

Names & synonyms

5416-23-9N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamideDTXSID40411651N-(6-Methyl-1,3-benzothiazol-2-yl)-2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

Database identifiers

CAS: 5416-23-9
PubChem CID: 5228902
DTXSID: DTXSID40411651

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 134 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 612

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