2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole

C21H25N5S — CID 45377641

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole
SMILESc1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1
InChIInChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
InChIKeyXZVMPANJGAEMPG-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole

2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole (PubChem CID 45377641) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole
PubChem CID45377641
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole
SMILESc1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1
InChIInChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
InChIKeyXZVMPANJGAEMPG-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole (CID 45377641) is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole is c1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole?
The InChIKey is XZVMPANJGAEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole?
2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole has a molecular weight of 379.53 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole is sourced from PubChem (CID 45377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).