5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

C11H18FN3OS — CID 166603165

IUPAC5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H18FN3OS/c1-16-7-4-10-13-11(17-14-10)15-5-2-9(8-12)3-6-15/h9H,2-8H2,1H3
InChIKeyLVNVCSVWHBSLPN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds5

About 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 166603165) has the molecular formula C11H18FN3OS and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID166603165
Molecular FormulaC11H18FN3OS
Molecular Weight259.35 g/mol
Exact Mass259.12
IUPAC Name5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H18FN3OS/c1-16-7-4-10-13-11(17-14-10)15-5-2-9(8-12)3-6-15/h9H,2-8H2,1H3
InChIKeyLVNVCSVWHBSLPN-UHFFFAOYSA-N
XLogP1.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164635685
3-Methyl-5-(4-(trifluoromethyl)piperidin-1-yl)-1,2,4-thiadiazole hydrochloride
CID 119099099
5-[4-(Fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
3-Methyl-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 126807977
3-(Methoxymethyl)-5-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 126819095
5-(4-Methylpiperidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 128171740
3-(2-Methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133369769
3-(2-Methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133484695
3-Tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133508456
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 138041764

Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 166603165) is 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCC(CF)CC2)n1.
What is the InChIKey of 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is LVNVCSVWHBSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3OS/c1-16-7-4-10-13-11(17-14-10)15-5-2-9(8-12)3-6-15/h9H,2-8H2,1H3.
What are the key properties of 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 259.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 166603165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).