4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid

C8H13N3O2S — CID 65267541

IUPAC4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCc1nsc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C8H13N3O2S/c1-6-9-8(14-10-6)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOCWKUAZMXMQJFM-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.15
Rot. Bonds5

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

4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (PubChem CID 65267541) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
PubChem CID65267541
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCc1nsc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C8H13N3O2S/c1-6-9-8(14-10-6)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOCWKUAZMXMQJFM-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic 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 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (CID 65267541) is 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is Cc1nsc(N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The InChIKey is OCWKUAZMXMQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-9-8(14-10-6)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid has a molecular weight of 215.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 65267541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).