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

C6H9N3O2S — CID 65267655

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(NC(C)C(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-3(5(10)11)7-6-8-4(2)9-12-6/h3H,1-2H3,(H,10,11)(H,7,8,9)
InChIKeyZJKYUGMSFYCWCN-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.73
Rot. Bonds3

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65267655) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65267655
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(NC(C)C(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-3(5(10)11)7-6-8-4(2)9-12-6/h3H,1-2H3,(H,10,11)(H,7,8,9)
InChIKeyZJKYUGMSFYCWCN-UHFFFAOYSA-N
XLogP0.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic 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-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65267655) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is Cc1nsc(NC(C)C(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is ZJKYUGMSFYCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3(5(10)11)7-6-8-4(2)9-12-6/h3H,1-2H3,(H,10,11)(H,7,8,9).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65267655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).