2-piperidin-3-yl-1,3,4-thiadiazole

C7H11N3S — CID 82653095

IUPAC2-piperidin-3-yl-1,3,4-thiadiazole
SMILESc1nnc(C2CCCNC2)s1
InChIInChI=1S/C7H11N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h5-6,8H,1-4H2
InChIKeyVNFFFJFYZUHKMG-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.01
Rot. Bonds1

About 2-piperidin-3-yl-1,3,4-thiadiazole

2-piperidin-3-yl-1,3,4-thiadiazole (PubChem CID 82653095) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-3-yl-1,3,4-thiadiazole
PubChem CID82653095
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-piperidin-3-yl-1,3,4-thiadiazole
SMILESc1nnc(C2CCCNC2)s1
InChIInChI=1S/C7H11N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h5-6,8H,1-4H2
InChIKeyVNFFFJFYZUHKMG-UHFFFAOYSA-N
XLogP1.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-3-yl-1,3,4-thiadiazole (CID 82653095) is 2-piperidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-3-yl-1,3,4-thiadiazole is c1nnc(C2CCCNC2)s1.
What is the InChIKey of 2-piperidin-3-yl-1,3,4-thiadiazole?
The InChIKey is VNFFFJFYZUHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h5-6,8H,1-4H2.
What are the key properties of 2-piperidin-3-yl-1,3,4-thiadiazole?
2-piperidin-3-yl-1,3,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 82653095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).