2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-amino-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile

HCID 21949082

Notes Reactions

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Basic information

Standard SMILES: COCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(N)n3)c2C#N)cc1
InChIKey: CAQOQSNCGMMXHI-UHFFFAOYSA-N
Molecular formula: C20H18N6O2S2
Average molar mass: 438.5 g/mol

Names & identifiers

Preferred name: 2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-amino-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile
IUPAC: 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

Names & synonyms

SCHEMBL4427010CAQOQSNCGMMXHI-UHFFFAOYSA-N2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-amino-1,3-thiazol-4-yl)methyl-sulphanyl]pyridine-3,5-dicarbonitrile2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-amino-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile

Database identifiers

PubChem CID: 21949082

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 197 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 644

Related reactions

2 records

New reaction record

HRID 1151636As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2214976As productuspto-grants-2006_09

Compound notes

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