4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C12H20N4O2S — CID 46995218

IUPAC4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCCC1CCN(C(=O)Nc2nc(C)ns2)CC1
InChIInChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(17)16-6-3-10(4-7-16)5-8-18-2/h10H,3-8H2,1-2H3,(H,13,14,15,17)
InChIKeyYSWAPWYEYXZLMR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46995218) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46995218
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCCC1CCN(C(=O)Nc2nc(C)ns2)CC1
InChIInChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(17)16-6-3-10(4-7-16)5-8-18-2/h10H,3-8H2,1-2H3,(H,13,14,15,17)
InChIKeyYSWAPWYEYXZLMR-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46995218) is 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is COCCC1CCN(C(=O)Nc2nc(C)ns2)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YSWAPWYEYXZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(17)16-6-3-10(4-7-16)5-8-18-2/h10H,3-8H2,1-2H3,(H,13,14,15,17).
What are the key properties of 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46995218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).