N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide

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Basic information

CAS: 5695-75-0
Standard SMILES: CCSc1nnc(NC(=O)c2cnccn2)s1
InChIKey: CMFHVQJIJCYAEI-UHFFFAOYSA-N
Molecular formula: C9H9N5OS2
Average molar mass: 267.3 g/mol
Monoisotopic mass: 267.02485227

Names & identifiers

Preferred name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide

Names & synonyms

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide5695-75-0N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamideMLS000107976CBMicro_029702Cambridge id 5695750Oprea1_169862CHEMBL1581857SCHEMBL13856493DTXSID60353781HMS2478L10STK431942

Show more names

AKOS001057575SMR000103940BIM-0029679.P001ST50916082Z26408016N-(5-ethylthio(1,3,4-thiadiazol-2-yl))pyrazin-2-ylcarboxamideN-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-pyrazinecarboxamide

Database identifiers

CAS: 5695-75-0
PubChem CID: 752976
DTXSID: DTXSID60353781
ChEMBL: CHEMBL1581857

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 134 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 268

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Compound notes

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