3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine

C11H20ClN5S — CID 159326224

IUPAC3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine
SMILESC1CNCCN1.Clc1nsnc1N1CCCCC1
InChIInChI=1S/C7H10ClN3S.C4H10N2/c8-6-7(10-12-9-6)11-4-2-1-3-5-11;1-2-6-4-3-5-1/h1-5H2;5-6H,1-4H2
InChIKeyLEJYSAQIOLHSBJ-UHFFFAOYSA-N
MW289.84 g/mol
LogP1.36
Rot. Bonds1

About 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine

3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine (PubChem CID 159326224) has the molecular formula C11H20ClN5S and a molecular weight of 289.84 g/mol. Its IUPAC name is 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine.

Molecular Properties

Compound Name3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine
PubChem CID159326224
Molecular FormulaC11H20ClN5S
Molecular Weight289.84 g/mol
Exact Mass289.11
IUPAC Name3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine
SMILESC1CNCCN1.Clc1nsnc1N1CCCCC1
InChIInChI=1S/C7H10ClN3S.C4H10N2/c8-6-7(10-12-9-6)11-4-2-1-3-5-11;1-2-6-4-3-5-1/h1-5H2;5-6H,1-4H2
InChIKeyLEJYSAQIOLHSBJ-UHFFFAOYSA-N
XLogP1.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.84
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine?
The IUPAC name of 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine (CID 159326224) is 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine.
What is the SMILES notation for 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine?
The canonical SMILES for 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine is C1CNCCN1.Clc1nsnc1N1CCCCC1.
What is the InChIKey of 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine?
The InChIKey is LEJYSAQIOLHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S.C4H10N2/c8-6-7(10-12-9-6)11-4-2-1-3-5-11;1-2-6-4-3-5-1/h1-5H2;5-6H,1-4H2.
What are the key properties of 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine?
3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine has a molecular weight of 289.84 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole;piperazine is sourced from PubChem (CID 159326224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).