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

C10H17N3S — CID 70823802

IUPAC3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-11-10(14-12-9)13-6-4-8(2)5-7-13/h8H,3-7H2,1-2H3
InChIKeyJIAJOHBQFNKWGG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.34
Rot. Bonds2

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

3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 70823802) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID70823802
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-11-10(14-12-9)13-6-4-8(2)5-7-13/h8H,3-7H2,1-2H3
InChIKeyJIAJOHBQFNKWGG-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole (CID 70823802) is 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCC(C)CC2)n1.
What is the InChIKey of 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is JIAJOHBQFNKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-11-10(14-12-9)13-6-4-8(2)5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 70823802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).