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

C12H20N4S — CID 58430606

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-14-13-10-17-12/h10-11H,1-9H2
InChIKeyVFFZHFRSELDBGP-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.99
Rot. Bonds2

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

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 58430606) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID58430606
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-14-13-10-17-12/h10-11H,1-9H2
InChIKeyVFFZHFRSELDBGP-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 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 58430606) is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is c1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is VFFZHFRSELDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-6-15(7-3-1)11-4-8-16(9-5-11)12-14-13-10-17-12/h10-11H,1-9H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-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 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 58430606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).