Basic information
- Standard SMILES
N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1cncs1- InChIKey
KCHOWRCXIFHWRU-UHFFFAOYSA-N- Molecular formula
- C20H11ClN6S3
- Average molar mass
- 467 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-([2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl)-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL1076984KCHOWRCXIFHWRU-UHFFFAOYSA-N2-amino-6-([2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl)-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile2-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 44229643
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 687
Related reactions
9 records
Compound notes
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