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

C12H19N3OS — CID 65272219

IUPAC1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCCCc1nsc(N2CCCC(C(C)=O)C2)n1
InChIInChI=1S/C12H19N3OS/c1-3-5-11-13-12(17-14-11)15-7-4-6-10(8-15)9(2)16/h10H,3-8H2,1-2H3
InChIKeyYWKQSOGOLNLBJK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.30
Rot. Bonds4

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

1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272219) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272219
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCCCc1nsc(N2CCCC(C(C)=O)C2)n1
InChIInChI=1S/C12H19N3OS/c1-3-5-11-13-12(17-14-11)15-7-4-6-10(8-15)9(2)16/h10H,3-8H2,1-2H3
InChIKeyYWKQSOGOLNLBJK-UHFFFAOYSA-N
XLogP2.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.30
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-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272167

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272219) is 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CCCc1nsc(N2CCCC(C(C)=O)C2)n1.
What is the InChIKey of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is YWKQSOGOLNLBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-5-11-13-12(17-14-11)15-7-4-6-10(8-15)9(2)16/h10H,3-8H2,1-2H3.
What are the key properties of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).