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

C14H16FN3OS — CID 43949529

IUPAC3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccccc1COc1nsnc1N1CCCCC1
InChIInChI=1S/C14H16FN3OS/c15-12-7-3-2-6-11(12)10-19-14-13(16-20-17-14)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyYDJAJCZMZFJSHT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds4

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

3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949529) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
PubChem CID43949529
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccccc1COc1nsnc1N1CCCCC1
InChIInChI=1S/C14H16FN3OS/c15-12-7-3-2-6-11(12)10-19-14-13(16-20-17-14)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyYDJAJCZMZFJSHT-UHFFFAOYSA-N
XLogP3.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (CID 43949529) is 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is Fc1ccccc1COc1nsnc1N1CCCCC1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The InChIKey is YDJAJCZMZFJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-7-3-2-6-11(12)10-19-14-13(16-20-17-14)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole has a molecular weight of 293.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).