1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol

HCID 19065151

Basic information

Standard SMILES
N#Cc1csc(-c2csc(C(O)(Cn3cncn3)c3ccc(F)cc3F)c2)n1
InChIKey
QDUFWRKHMYXGBV-UHFFFAOYSA-N
Molecular formula
C18H11F2N5OS2
Average molar mass
415.4 g/mol

Names & identifiers

Preferred name
1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol
IUPAC
2-[5-[1-(2,4-difluorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carbonitrile

Names & synonyms

SCHEMBL6630503QDUFWRKHMYXGBV-UHFFFAOYSA-N1-(2,4-difluorophenyl)-1-(4-(4-cyano-thiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2 yl)-2-(1H-1,2,4-triazol-1-yl)ethanol1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol

Database identifiers

PubChem CID
19065151

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
144 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
28

Related reactions

7 records

Compound notes

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