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

C9H13N3OS — CID 65272220

IUPAC1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ncns2)C1
InChIInChI=1S/C9H13N3OS/c1-7(13)8-3-2-4-12(5-8)9-10-6-11-14-9/h6,8H,2-5H2,1H3
InChIKeyAHEWXBVGMNNXLE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.34
Rot. Bonds2

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

1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272220) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272220
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ncns2)C1
InChIInChI=1S/C9H13N3OS/c1-7(13)8-3-2-4-12(5-8)9-10-6-11-14-9/h6,8H,2-5H2,1H3
InChIKeyAHEWXBVGMNNXLE-UHFFFAOYSA-N
XLogP1.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,4-Thiadiazol-5-yl)piperidin-4-one
CID 59433223
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65268308
1-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272167
1-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272219
1-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272221
1-[1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272276
1-[1-(1,2,4-Thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272335
1-(1,2,4-Thiadiazol-5-yl)piperidine-3-carbaldehyde
CID 65280159

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272220) is 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2ncns2)C1.
What is the InChIKey of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is AHEWXBVGMNNXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7(13)8-3-2-4-12(5-8)9-10-6-11-14-9/h6,8H,2-5H2,1H3.
What are the key properties of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).