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

C16H19ClFN3OS — CID 43949668

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCC1CCCCN1c1nsnc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3OS/c1-2-11-6-3-4-9-21(11)15-16(20-23-19-15)22-10-12-13(17)7-5-8-14(12)18/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyITKDPUQIPAYFTQ-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.68
Rot. Bonds5

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

3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949668) has the molecular formula C16H19ClFN3OS and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949668
Molecular FormulaC16H19ClFN3OS
Molecular Weight355.87 g/mol
Exact Mass355.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCC1CCCCN1c1nsnc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3OS/c1-2-11-6-3-4-9-21(11)15-16(20-23-19-15)22-10-12-13(17)7-5-8-14(12)18/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyITKDPUQIPAYFTQ-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949654
3-(2-ethylpiperidin-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949680
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole
CID 43949858
3-[(2-chloro-6-fluorophenyl)methoxy]-4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43949763
3-chloro-4-(2-ethylazepan-1-yl)-1,2,5-thiadiazole
CID 104691103
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949596
1-[2-(bromomethyl)-3-chlorophenyl]-2-ethylpyrrolidine
CID 107080748
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
CID 105383470
4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80773841

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949668) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole is CCC1CCCCN1c1nsnc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is ITKDPUQIPAYFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3OS/c1-2-11-6-3-4-9-21(11)15-16(20-23-19-15)22-10-12-13(17)7-5-8-14(12)18/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 355.87 g/mol, XLogP of 4.68, 5 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-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).