5-[4-(4-Chloro-phenyl)-4-cyanomethyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamino]-2-(4-methyl-imidazol-1-yl)-benzonitrile

HCID 57780712
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Basic information

Standard SMILES
Cc1cn(-c2ccc(Nc3nc4c(s3)CCCC4(CC#N)c3ccc(Cl)cc3)cc2C#N)cn1
InChIKey
YBLYNJBHGPLHCG-UHFFFAOYSA-N
Molecular formula
C26H21ClN6S
Average molar mass
485 g/mol

Names & identifiers

Preferred name
5-[4-(4-Chloro-phenyl)-4-cyanomethyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamino]-2-(4-methyl-imidazol-1-yl)-benzonitrile
IUPAC
5-[[4-(4-chlorophenyl)-4-(cyanomethyl)-6,7-dihydro-5H-1,3-benzothiazol-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile

Names & synonyms

SCHEMBL1615846YBLYNJBHGPLHCG-UHFFFAOYSA-N5-[4-(4-Chloro-phenyl)-4-cyanomethyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamino]-2-(4-methyl-imidazol-1-yl)-benzonitrile

Database identifiers

PubChem CID
57780712

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
119 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Compound notes

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