4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid

C5H8N4O2S — CID 14945143

IUPAC4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid
SMILESNCCNc1nsnc1C(=O)O
InChIInChI=1S/C5H8N4O2S/c6-1-2-7-4-3(5(10)11)8-12-9-4/h1-2,6H2,(H,7,9)(H,10,11)
InChIKeyQDOAUVZJPROPMC-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.39
Rot. Bonds4

About 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid

4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid (PubChem CID 14945143) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid
PubChem CID14945143
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid
SMILESNCCNc1nsnc1C(=O)O
InChIInChI=1S/C5H8N4O2S/c6-1-2-7-4-3(5(10)11)8-12-9-4/h1-2,6H2,(H,7,9)(H,10,11)
InChIKeyQDOAUVZJPROPMC-UHFFFAOYSA-N
XLogP-0.39
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid?
The IUPAC name of 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid (CID 14945143) is 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid?
The canonical SMILES for 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid is NCCNc1nsnc1C(=O)O.
What is the InChIKey of 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid?
The InChIKey is QDOAUVZJPROPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c6-1-2-7-4-3(5(10)11)8-12-9-4/h1-2,6H2,(H,7,9)(H,10,11).
What are the key properties of 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid?
4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid has a molecular weight of 188.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-1,2,5-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 14945143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).