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

C16H20FN3OS — CID 43949654

IUPAC3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
SMILESCCC1CCCCN1c1nsnc1OCc1ccc(F)cc1
InChIInChI=1S/C16H20FN3OS/c1-2-14-5-3-4-10-20(14)15-16(19-22-18-15)21-11-12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyIXKRLQRQCMYEOX-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.03
Rot. Bonds5

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

3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 43949654) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
PubChem CID43949654
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
SMILESCCC1CCCCN1c1nsnc1OCc1ccc(F)cc1
InChIInChI=1S/C16H20FN3OS/c1-2-14-5-3-4-10-20(14)15-16(19-22-18-15)21-11-12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyIXKRLQRQCMYEOX-UHFFFAOYSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949680
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949668
3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole
CID 43949619
3-chloro-4-(2-ethylazepan-1-yl)-1,2,5-thiadiazole
CID 104691103
3-[(4-bromophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949502
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949596
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
CID 105383470

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole (CID 43949654) is 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole is CCC1CCCCN1c1nsnc1OCc1ccc(F)cc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is IXKRLQRQCMYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-2-14-5-3-4-10-20(14)15-16(19-22-18-15)21-11-12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole?
3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 321.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 43949654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).