Mls000737238

HCID 266151

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Basic information

CAS: 16225-38-0
Standard SMILES: c1cc(-c2nsc(-c3ccncc3)n2)ccn1
InChIKey: RJDDHKWIIGWQNR-UHFFFAOYSA-N
Molecular formula: C12H8N4S
Average molar mass: 240.29 g/mol
Monoisotopic mass: 240.04696745

Names & identifiers

Preferred name: Mls000737238
IUPAC: 3,5-dipyridin-4-yl-1,2,4-thiadiazole

Names & synonyms

MLS00073723816225-38-0DTXSID60295612RefChem:357086DTXCID10246750CHEMBL1454842HMS2780N134,4'-(1,2,4-thiadiazole-3,5-diyl)dipyridineNSC103353SCHEMBL16879741BDBM50361944NSC-103353

Show more names

SMR000444323

Database identifiers

CAS: 16225-38-0
PubChem CID: 266151
DTXSID: DTXSID60295612
ChEMBL: CHEMBL1454842
Nikkaji: J1.286.531G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 239

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