2-(thiadiazole-5-carbonylamino)propanoic acid

C6H7N3O3S — CID 43522618

IUPAC2-(thiadiazole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-3(6(11)12)8-5(10)4-2-7-9-13-4/h2-3H,1H3,(H,8,10)(H,11,12)
InChIKeyFIUUKVKJCYFMAR-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.26
Rot. Bonds3

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

2-(thiadiazole-5-carbonylamino)propanoic acid (PubChem CID 43522618) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(thiadiazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(thiadiazole-5-carbonylamino)propanoic acid
PubChem CID43522618
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name2-(thiadiazole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-3(6(11)12)8-5(10)4-2-7-9-13-4/h2-3H,1H3,(H,8,10)(H,11,12)
InChIKeyFIUUKVKJCYFMAR-UHFFFAOYSA-N
XLogP-0.26
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.26
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)propanoic acid?
The IUPAC name of 2-(thiadiazole-5-carbonylamino)propanoic acid (CID 43522618) is 2-(thiadiazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(thiadiazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-(thiadiazole-5-carbonylamino)propanoic acid is CC(NC(=O)c1cnns1)C(=O)O.
What is the InChIKey of 2-(thiadiazole-5-carbonylamino)propanoic acid?
The InChIKey is FIUUKVKJCYFMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-3(6(11)12)8-5(10)4-2-7-9-13-4/h2-3H,1H3,(H,8,10)(H,11,12).
What are the key properties of 2-(thiadiazole-5-carbonylamino)propanoic acid?
2-(thiadiazole-5-carbonylamino)propanoic acid has a molecular weight of 201.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 43522618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).