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

C14H15ClFN3OS — CID 43949520

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1cccc(Cl)c1COc1nsnc1N1CCCCC1
InChIInChI=1S/C14H15ClFN3OS/c15-11-5-4-6-12(16)10(11)9-20-14-13(17-21-18-14)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2
InChIKeyRYDFEPIBYILFSF-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.90
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949520) has the molecular formula C14H15ClFN3OS and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
PubChem CID43949520
Molecular FormulaC14H15ClFN3OS
Molecular Weight327.81 g/mol
Exact Mass327.06
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
SMILESFc1cccc(Cl)c1COc1nsnc1N1CCCCC1
InChIInChI=1S/C14H15ClFN3OS/c15-11-5-4-6-12(16)10(11)9-20-14-13(17-21-18-14)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2
InChIKeyRYDFEPIBYILFSF-UHFFFAOYSA-N
XLogP3.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole (CID 43949520) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is Fc1cccc(Cl)c1COc1nsnc1N1CCCCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
The InChIKey is RYDFEPIBYILFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS/c15-11-5-4-6-12(16)10(11)9-20-14-13(17-21-18-14)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole has a molecular weight of 327.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).