5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole

C11H19N3S — CID 143498316

IUPAC5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C11H19N3S/c1-3-4-10-12-11(15-13-10)14-7-5-9(2)6-8-14/h9H,3-8H2,1-2H3
InChIKeyUNXKXYCADHNZII-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.73
Rot. Bonds3

About 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole

5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole (PubChem CID 143498316) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole
PubChem CID143498316
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C11H19N3S/c1-3-4-10-12-11(15-13-10)14-7-5-9(2)6-8-14/h9H,3-8H2,1-2H3
InChIKeyUNXKXYCADHNZII-UHFFFAOYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole (CID 143498316) is 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(N2CCC(C)CC2)n1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole?
The InChIKey is UNXKXYCADHNZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-4-10-12-11(15-13-10)14-7-5-9(2)6-8-14/h9H,3-8H2,1-2H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole?
5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole has a molecular weight of 225.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 143498316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).