1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide

C12H20N4O2S — CID 166605829

IUPAC1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(CCOC)ns2)C1
InChIInChI=1S/C12H20N4O2S/c1-13-11(17)9-4-3-6-16(8-9)12-14-10(15-19-12)5-7-18-2/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyRZTPAFFJCAFEIA-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 166605829) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
PubChem CID166605829
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(CCOC)ns2)C1
InChIInChI=1S/C12H20N4O2S/c1-13-11(17)9-4-3-6-16(8-9)12-14-10(15-19-12)5-7-18-2/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyRZTPAFFJCAFEIA-UHFFFAOYSA-N
XLogP0.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide (CID 166605829) is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nc(CCOC)ns2)C1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is RZTPAFFJCAFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-13-11(17)9-4-3-6-16(8-9)12-14-10(15-19-12)5-7-18-2/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide?
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 166605829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).