5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole

C12H20N4S — CID 70902011

IUPAC5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESc1nsc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-13-10-14-17-12/h10-11H,1-9H2
InChIKeyIGMGWYXYBGWYEA-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.99
Rot. Bonds2

About 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole

5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 70902011) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID70902011
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESc1nsc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-13-10-14-17-12/h10-11H,1-9H2
InChIKeyIGMGWYXYBGWYEA-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole (CID 70902011) is 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole is c1nsc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is IGMGWYXYBGWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-13-10-14-17-12/h10-11H,1-9H2.
What are the key properties of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 252.39 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 70902011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).