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

C10H15N3OS — CID 65268309

IUPAC1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H15N3OS/c1-7(14)9-3-5-13(6-4-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3
InChIKeyIVSFADYXLVJIAL-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.65
Rot. Bonds2

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

1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone (PubChem CID 65268309) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
PubChem CID65268309
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H15N3OS/c1-7(14)9-3-5-13(6-4-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3
InChIKeyIVSFADYXLVJIAL-UHFFFAOYSA-N
XLogP1.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone
CID 107304541
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
CID 107304546
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carbaldehyde
CID 107305985
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-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65268293
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
3-Methyl-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89002902
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
Tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 162376434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone (CID 65268309) is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone is CC(=O)C1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The InChIKey is IVSFADYXLVJIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)9-3-5-13(6-4-9)10-11-8(2)12-15-10/h9H,3-6H2,1-2H3.
What are the key properties of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 65268309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).