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

C14H16FN3OS — CID 43949532

IUPAC3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1cccc(COc2nsnc2N2CCCCC2)c1
InChIInChI=1S/C14H16FN3OS/c15-12-6-4-5-11(9-12)10-19-14-13(16-20-17-14)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2
InChIKeyAJCLBZDGWBACTJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds4

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

3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949532) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
PubChem CID43949532
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1cccc(COc2nsnc2N2CCCCC2)c1
InChIInChI=1S/C14H16FN3OS/c15-12-6-4-5-11(9-12)10-19-14-13(16-20-17-14)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2
InChIKeyAJCLBZDGWBACTJ-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-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (CID 43949532) is 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is Fc1cccc(COc2nsnc2N2CCCCC2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The InChIKey is AJCLBZDGWBACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-6-4-5-11(9-12)10-19-14-13(16-20-17-14)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 3-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
3-[(3-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-[(3-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).