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

C6H9N3O2S — CID 65267483

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(NCCC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)7-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9)
InChIKeyTWJTYQZGRJNPPL-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.73
Rot. Bonds4

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

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65267483) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65267483
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(NCCC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)7-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9)
InChIKeyTWJTYQZGRJNPPL-UHFFFAOYSA-N
XLogP0.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65267483) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is Cc1nsc(NCCC(=O)O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is TWJTYQZGRJNPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)7-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65267483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).