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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Related Compounds

1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 5243333
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-methoxyacetamide
CID 3888156
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3877515
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 133333041
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133480716
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188
3-[(4-fluorophenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 42776347
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603

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).