1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

C9H13N3OS — CID 59433760

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCCc1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C9H13N3OS/c1-2-8-10-9(14-11-8)12-5-3-7(13)4-6-12/h2-6H2,1H3
InChIKeyUBMLJWSIJFYCJA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.27
Rot. Bonds2

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 59433760) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID59433760
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCCc1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C9H13N3OS/c1-2-8-10-9(14-11-8)12-5-3-7(13)4-6-12/h2-6H2,1H3
InChIKeyUBMLJWSIJFYCJA-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Methylpiperazin-1-yl)-[1,2,4]thiadiazol-3-yl]propan-2-one
CID 155818948
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-one
CID 107304540
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
CID 107304546
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65273589
3-Methyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 68269138
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-[5-(Azepan-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 89752806
3-Ethyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 90745409
1-[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 125501072
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide
CID 138608919
1-(3-Piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
CID 166760968

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 59433760) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is CCc1nsc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is UBMLJWSIJFYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-8-10-9(14-11-8)12-5-3-7(13)4-6-12/h2-6H2,1H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 211.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 59433760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).