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

C12H17N3OS — CID 65272218

IUPAC1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H17N3OS/c1-8(16)10-3-2-6-15(7-10)12-13-11(14-17-12)9-4-5-9/h9-10H,2-7H2,1H3
InChIKeyHXFHJTZAFHKIJU-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.22
Rot. Bonds3

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

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272218) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272218
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H17N3OS/c1-8(16)10-3-2-6-15(7-10)12-13-11(14-17-12)9-4-5-9/h9-10H,2-7H2,1H3
InChIKeyHXFHJTZAFHKIJU-UHFFFAOYSA-N
XLogP2.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272218) is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is HXFHJTZAFHKIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(16)10-3-2-6-15(7-10)12-13-11(14-17-12)9-4-5-9/h9-10H,2-7H2,1H3.
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 251.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).