3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 65276447

IUPAC3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCN1CCC(Nc2nc(CC)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-3-7-16-8-5-10(6-9-16)13-12-14-11(4-2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyPPVQMLHAZIAHQK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.39
Rot. Bonds5

About 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276447) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65276447
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCN1CCC(Nc2nc(CC)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-3-7-16-8-5-10(6-9-16)13-12-14-11(4-2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyPPVQMLHAZIAHQK-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (CID 65276447) is 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is CCCN1CCC(Nc2nc(CC)ns2)CC1.
What is the InChIKey of 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PPVQMLHAZIAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-7-16-8-5-10(6-9-16)13-12-14-11(4-2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).