2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole

C22H30N6S — CID 62705090

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
SMILESC1=C(c2ccccn2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2
InChIKeyKGTSVLOKRNDHFU-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole

2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole (PubChem CID 62705090) has the molecular formula C22H30N6S and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
PubChem CID62705090
Molecular FormulaC22H30N6S
Molecular Weight410.59 g/mol
Exact Mass410.23
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
SMILESC1=C(c2ccccn2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2
InChIKeyKGTSVLOKRNDHFU-UHFFFAOYSA-N
XLogP4.03
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole (CID 62705090) is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole is C1=C(c2ccccn2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The InChIKey is KGTSVLOKRNDHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole has a molecular weight of 410.59 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 62705090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).