3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole

C11H19FN4S — CID 126817237

IUPAC3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCCF)CC2)n1
InChIInChI=1S/C11H19FN4S/c1-2-10-13-11(17-14-10)16-8-6-15(7-9-16)5-3-4-12/h2-9H2,1H3
InChIKeyJOSTZISULNPETC-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.58
Rot. Bonds5

About 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 126817237) has the molecular formula C11H19FN4S and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID126817237
Molecular FormulaC11H19FN4S
Molecular Weight258.37 g/mol
Exact Mass258.13
IUPAC Name3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCCF)CC2)n1
InChIInChI=1S/C11H19FN4S/c1-2-10-13-11(17-14-10)16-8-6-15(7-9-16)5-3-4-12/h2-9H2,1H3
InChIKeyJOSTZISULNPETC-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 126817237) is 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN(CCCF)CC2)n1.
What is the InChIKey of 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JOSTZISULNPETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4S/c1-2-10-13-11(17-14-10)16-8-6-15(7-9-16)5-3-4-12/h2-9H2,1H3.
What are the key properties of 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 258.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126817237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).