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

C7H10N4O3S — CID 62628202

IUPAC2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyYBNUSGNLFUQWKO-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.47
Rot. Bonds3

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

2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 62628202) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
PubChem CID62628202
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyYBNUSGNLFUQWKO-UHFFFAOYSA-N
XLogP0.47
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)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-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid (CID 62628202) is 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1nncs1.
What is the InChIKey of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is YBNUSGNLFUQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62628202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).