2-(thiadiazole-5-carbonylamino)butanoic acid

C7H9N3O3S — CID 43522668

IUPAC2-(thiadiazole-5-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-2-4(7(12)13)9-6(11)5-3-8-10-14-5/h3-4H,2H2,1H3,(H,9,11)(H,12,13)
InChIKeyVGZLZDRKVJJVBY-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.13
Rot. Bonds4

About 2-(thiadiazole-5-carbonylamino)butanoic acid

2-(thiadiazole-5-carbonylamino)butanoic acid (PubChem CID 43522668) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(thiadiazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(thiadiazole-5-carbonylamino)butanoic acid
PubChem CID43522668
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-(thiadiazole-5-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-2-4(7(12)13)9-6(11)5-3-8-10-14-5/h3-4H,2H2,1H3,(H,9,11)(H,12,13)
InChIKeyVGZLZDRKVJJVBY-UHFFFAOYSA-N
XLogP0.13
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazole-5-carbonylamino)butanoic acid?
The IUPAC name of 2-(thiadiazole-5-carbonylamino)butanoic acid (CID 43522668) is 2-(thiadiazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(thiadiazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-(thiadiazole-5-carbonylamino)butanoic acid is CCC(NC(=O)c1cnns1)C(=O)O.
What is the InChIKey of 2-(thiadiazole-5-carbonylamino)butanoic acid?
The InChIKey is VGZLZDRKVJJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-2-4(7(12)13)9-6(11)5-3-8-10-14-5/h3-4H,2H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-(thiadiazole-5-carbonylamino)butanoic acid?
2-(thiadiazole-5-carbonylamino)butanoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 43522668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).