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

C11H17N3OS — CID 65272166

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCC(C)(C)c1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h4-7H2,1-3H3
InChIKeyHTLRHUUBEJKHMO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.00
Rot. Bonds1

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

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 65272166) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID65272166
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCC(C)(C)c1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h4-7H2,1-3H3
InChIKeyHTLRHUUBEJKHMO-UHFFFAOYSA-N
XLogP2.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.00
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-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-[5-(Azepan-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 89752806
1-(3-Piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
CID 166760968
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 65272166) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is CC(C)(C)c1nsc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is HTLRHUUBEJKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h4-7H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 239.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 65272166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).