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

C12H19N3OS — CID 65272167

IUPAC1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-13-12(17-14-11)15-6-4-5-10(7-15)9(3)16/h8,10H,4-7H2,1-3H3
InChIKeyZZGAXUZXQFDIEL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds3

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

1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272167) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272167
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-13-12(17-14-11)15-6-4-5-10(7-15)9(3)16/h8,10H,4-7H2,1-3H3
InChIKeyZZGAXUZXQFDIEL-UHFFFAOYSA-N
XLogP2.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone
CID 107304541
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanone
CID 113943896
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65268308
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65268309
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272111
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272112
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272113
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272166
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272218

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272167) is 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2nc(C(C)C)ns2)C1.
What is the InChIKey of 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is ZZGAXUZXQFDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11-13-12(17-14-11)15-6-4-5-10(7-15)9(3)16/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).