3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 65276221

IUPAC3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C2CCCNC2)n1
InChIInChI=1S/C10H18N4S/c1-3-9-12-10(15-13-9)14(2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyQLKSXXFSWHAWBF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.29
Rot. Bonds3

About 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine

3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65276221) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID65276221
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C2CCCNC2)n1
InChIInChI=1S/C10H18N4S/c1-3-9-12-10(15-13-9)14(2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyQLKSXXFSWHAWBF-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine (CID 65276221) is 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)C2CCCNC2)n1.
What is the InChIKey of 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is QLKSXXFSWHAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-9-12-10(15-13-9)14(2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).