2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile

C19H16FN5S — CID 133310718

IUPAC2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C19H16FN5S/c20-16-7-4-8-17(15(16)13-21)24-9-11-25(12-10-24)19-22-18(23-26-19)14-5-2-1-3-6-14/h1-8H,9-12H2
InChIKeyFMGVAHNQNPXSPD-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile

2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile (PubChem CID 133310718) has the molecular formula C19H16FN5S and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile
PubChem CID133310718
Molecular FormulaC19H16FN5S
Molecular Weight365.44 g/mol
Exact Mass365.11
IUPAC Name2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C19H16FN5S/c20-16-7-4-8-17(15(16)13-21)24-9-11-25(12-10-24)19-22-18(23-26-19)14-5-2-1-3-6-14/h1-8H,9-12H2
InChIKeyFMGVAHNQNPXSPD-UHFFFAOYSA-N
XLogP3.54
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile (CID 133310718) is 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile?
The InChIKey is FMGVAHNQNPXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S/c20-16-7-4-8-17(15(16)13-21)24-9-11-25(12-10-24)19-22-18(23-26-19)14-5-2-1-3-6-14/h1-8H,9-12H2.
What are the key properties of 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 133310718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).