3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole

C12H13FN4S — CID 68775720

IUPAC3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESFc1ccccc1-c1nsc(N2CCNCC2)n1
InChIInChI=1S/C12H13FN4S/c13-10-4-2-1-3-9(10)11-15-12(18-16-11)17-7-5-14-6-8-17/h1-4,14H,5-8H2
InChIKeyLXVLSLQAGSMZGT-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.75
Rot. Bonds2

About 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole

3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 68775720) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID68775720
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESFc1ccccc1-c1nsc(N2CCNCC2)n1
InChIInChI=1S/C12H13FN4S/c13-10-4-2-1-3-9(10)11-15-12(18-16-11)17-7-5-14-6-8-17/h1-4,14H,5-8H2
InChIKeyLXVLSLQAGSMZGT-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole (CID 68775720) is 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole is Fc1ccccc1-c1nsc(N2CCNCC2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is LXVLSLQAGSMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-10-4-2-1-3-9(10)11-15-12(18-16-11)17-7-5-14-6-8-17/h1-4,14H,5-8H2.
What are the key properties of 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole?
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 264.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68775720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).