3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole

C11H18ClN3S — CID 63549263

IUPAC3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCC1(CC)CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-3-11(4-2)5-7-15(8-6-11)10-9(12)13-16-14-10/h3-8H2,1-2H3
InChIKeyGVYUZEJDXRAGGP-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.60
Rot. Bonds3

About 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole

3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 63549263) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID63549263
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCC1(CC)CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-3-11(4-2)5-7-15(8-6-11)10-9(12)13-16-14-10/h3-8H2,1-2H3
InChIKeyGVYUZEJDXRAGGP-UHFFFAOYSA-N
XLogP3.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole (CID 63549263) is 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole is CCC1(CC)CCN(c2nsnc2Cl)CC1.
What is the InChIKey of 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is GVYUZEJDXRAGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-3-11(4-2)5-7-15(8-6-11)10-9(12)13-16-14-10/h3-8H2,1-2H3.
What are the key properties of 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 259.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4,4-diethylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 63549263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).