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

C10H15N3O2S — CID 65268071

IUPAC2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid
SMILESCc1nsc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-10(16-12-7)13-5-3-2-4-8(13)6-9(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyGQJMJRBSRJRNAN-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.68
Rot. Bonds3

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

2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid (PubChem CID 65268071) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid
PubChem CID65268071
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid
SMILESCc1nsc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-10(16-12-7)13-5-3-2-4-8(13)6-9(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyGQJMJRBSRJRNAN-UHFFFAOYSA-N
XLogP1.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic 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 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid (CID 65268071) is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid is Cc1nsc(N2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid?
The InChIKey is GQJMJRBSRJRNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-11-10(16-12-7)13-5-3-2-4-8(13)6-9(14)15/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid?
2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid has a molecular weight of 241.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 65268071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).