3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole

C16H20FN3OS — CID 133422180

IUPAC3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H20FN3OS/c1-2-15-18-16(22-19-15)20-9-7-14(8-10-20)21-11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeySNZLTYWIYXZHOV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds5

About 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133422180) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133422180
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H20FN3OS/c1-2-15-18-16(22-19-15)20-9-7-14(8-10-20)21-11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeySNZLTYWIYXZHOV-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
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-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole (CID 133422180) is 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCC(OCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is SNZLTYWIYXZHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-2-15-18-16(22-19-15)20-9-7-14(8-10-20)21-11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 321.42 g/mol, XLogP of 3.43, 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-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133422180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).