1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

C8H11N3OS — CID 59258510

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCc1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C8H11N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h2-5H2,1H3
InChIKeyXGXQNNQKAZSKGA-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.02
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 59258510) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID59258510
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCc1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C8H11N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h2-5H2,1H3
InChIKeyXGXQNNQKAZSKGA-UHFFFAOYSA-N
XLogP1.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 59258510) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is Cc1nsc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is XGXQNNQKAZSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h2-5H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 197.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 59258510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).