3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole

C16H20FN3OS — CID 43949581

IUPAC3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
SMILESCC1CCCC(C)N1c1nsnc1OCc1ccccc1F
InChIInChI=1S/C16H20FN3OS/c1-11-6-5-7-12(2)20(11)15-16(19-22-18-15)21-10-13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyUGHBGBSEHRNWQL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.02
Rot. Bonds4

About 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole

3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 43949581) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
PubChem CID43949581
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
SMILESCC1CCCC(C)N1c1nsnc1OCc1ccccc1F
InChIInChI=1S/C16H20FN3OS/c1-11-6-5-7-12(2)20(11)15-16(19-22-18-15)21-10-13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyUGHBGBSEHRNWQL-UHFFFAOYSA-N
XLogP4.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole (CID 43949581) is 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole is CC1CCCC(C)N1c1nsnc1OCc1ccccc1F.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is UGHBGBSEHRNWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-11-6-5-7-12(2)20(11)15-16(19-22-18-15)21-10-13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole?
3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 321.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 43949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).