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

C7H9N3OS — CID 59433223

IUPAC1-(1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2ncns2)CC1
InChIInChI=1S/C7H9N3OS/c11-6-1-3-10(4-2-6)7-8-5-9-12-7/h5H,1-4H2
InChIKeyXYBDIHVEOJWSKE-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.71
Rot. Bonds1

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

1-(1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 59433223) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID59433223
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name1-(1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2ncns2)CC1
InChIInChI=1S/C7H9N3OS/c11-6-1-3-10(4-2-6)7-8-5-9-12-7/h5H,1-4H2
InChIKeyXYBDIHVEOJWSKE-UHFFFAOYSA-N
XLogP0.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Piperidin-1-yl-1,2,4-thiadiazole
CID 90942214
3-Piperidin-1-yl-1,2,4-thiadiazole
CID 175948156
1-[1-(1,2,4-Thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272220
1-[1-(1,2,4-Thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272335
1-(1,2,4-Thiadiazol-5-yl)piperidin-3-one
CID 81716691

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 59433223) is 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one is O=C1CCN(c2ncns2)CC1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is XYBDIHVEOJWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c11-6-1-3-10(4-2-6)7-8-5-9-12-7/h5H,1-4H2.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 183.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 59433223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).