1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

C10H15N3OS — CID 65268308

IUPAC1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C10H15N3OS/c1-7(14)9-4-3-5-13(6-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3
InChIKeyDVGZWGJLMCLNGQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.65
Rot. Bonds2

About 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65268308) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65268308
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C10H15N3OS/c1-7(14)9-4-3-5-13(6-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3
InChIKeyDVGZWGJLMCLNGQ-UHFFFAOYSA-N
XLogP1.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65268308) is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2nc(C)ns2)C1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is DVGZWGJLMCLNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)9-4-3-5-13(6-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3.
What are the key properties of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65268308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).