2-amino-1,3-thiazole-5-sulfonate

C3H3N2O3S2- — CID 7060026

IUPAC2-amino-1,3-thiazole-5-sulfonate
SMILESNc1ncc(S(=O)(=O)[O-])s1
InChIInChI=1S/C3H4N2O3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H2,4,5)(H,6,7,8)/p-1
InChIKeyKZGZZBIRYZCFHV-UHFFFAOYSA-M
MW179.20 g/mol
LogP-0.37
Rot. Bonds1

About 2-amino-1,3-thiazole-5-sulfonate

2-amino-1,3-thiazole-5-sulfonate (PubChem CID 7060026) has the molecular formula C3H3N2O3S2- and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-sulfonate.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-sulfonate
PubChem CID7060026
Molecular FormulaC3H3N2O3S2-
Molecular Weight179.20 g/mol
Exact Mass178.96
IUPAC Name2-amino-1,3-thiazole-5-sulfonate
SMILESNc1ncc(S(=O)(=O)[O-])s1
InChIInChI=1S/C3H4N2O3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H2,4,5)(H,6,7,8)/p-1
InChIKeyKZGZZBIRYZCFHV-UHFFFAOYSA-M
XLogP-0.37
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-sulfonate?
The IUPAC name of 2-amino-1,3-thiazole-5-sulfonate (CID 7060026) is 2-amino-1,3-thiazole-5-sulfonate.
What is the SMILES notation for 2-amino-1,3-thiazole-5-sulfonate?
The canonical SMILES for 2-amino-1,3-thiazole-5-sulfonate is Nc1ncc(S(=O)(=O)[O-])s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-sulfonate?
The InChIKey is KZGZZBIRYZCFHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H2,4,5)(H,6,7,8)/p-1.
What are the key properties of 2-amino-1,3-thiazole-5-sulfonate?
2-amino-1,3-thiazole-5-sulfonate has a molecular weight of 179.20 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-sulfonate is sourced from PubChem (CID 7060026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).