3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid

C10H15N3O2S — CID 65268012

IUPAC3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
SMILESCc1nsc(N2CCCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-9(16-12-7)13-5-3-4-10(2,6-13)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyAZCPUQZVCCTZBU-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.54
Rot. Bonds2

About 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid

3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid (PubChem CID 65268012) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
PubChem CID65268012
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
SMILESCc1nsc(N2CCCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-9(16-12-7)13-5-3-4-10(2,6-13)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyAZCPUQZVCCTZBU-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid (CID 65268012) is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid is Cc1nsc(N2CCCC(C)(C(=O)O)C2)n1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid?
The InChIKey is AZCPUQZVCCTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-11-9(16-12-7)13-5-3-4-10(2,6-13)8(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid?
3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65268012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).