4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile

C19H15FN2OS — CID 67576564

IUPAC4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile
SMILESN#Cc1ccc(C(O)(CCc2ccc(F)cc2)c2nccs2)cc1
InChIInChI=1S/C19H15FN2OS/c20-17-7-3-14(4-8-17)9-10-19(23,18-22-11-12-24-18)16-5-1-15(13-21)2-6-16/h1-8,11-12,23H,9-10H2
InChIKeyQWWFRBJGAIOFBX-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.02
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile

4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile (PubChem CID 67576564) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile
PubChem CID67576564
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile
SMILESN#Cc1ccc(C(O)(CCc2ccc(F)cc2)c2nccs2)cc1
InChIInChI=1S/C19H15FN2OS/c20-17-7-3-14(4-8-17)9-10-19(23,18-22-11-12-24-18)16-5-1-15(13-21)2-6-16/h1-8,11-12,23H,9-10H2
InChIKeyQWWFRBJGAIOFBX-UHFFFAOYSA-N
XLogP4.02
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile (CID 67576564) is 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile is N#Cc1ccc(C(O)(CCc2ccc(F)cc2)c2nccs2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile?
The InChIKey is QWWFRBJGAIOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-17-7-3-14(4-8-17)9-10-19(23,18-22-11-12-24-18)16-5-1-15(13-21)2-6-16/h1-8,11-12,23H,9-10H2.
What are the key properties of 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile?
4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-hydroxy-1-(1,3-thiazol-2-yl)propyl]benzonitrile is sourced from PubChem (CID 67576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).