2-amino-1,3-thiazole-5-sulfonic acid

C3H4N2O3S2 — CID 2829719

IUPAC2-amino-1,3-thiazole-5-sulfonic acid
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)
InChIKeyKZGZZBIRYZCFHV-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.03
Rot. Bonds1

About 2-amino-1,3-thiazole-5-sulfonic acid

2-amino-1,3-thiazole-5-sulfonic acid (PubChem CID 2829719) has the molecular formula C3H4N2O3S2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-sulfonic acid.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-sulfonic acid
PubChem CID2829719
Molecular FormulaC3H4N2O3S2
Molecular Weight180.21 g/mol
Exact Mass179.97
IUPAC Name2-amino-1,3-thiazole-5-sulfonic acid
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)
InChIKeyKZGZZBIRYZCFHV-UHFFFAOYSA-N
XLogP-0.03
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-sulfonic acid?
The IUPAC name of 2-amino-1,3-thiazole-5-sulfonic acid (CID 2829719) is 2-amino-1,3-thiazole-5-sulfonic acid.
What is the SMILES notation for 2-amino-1,3-thiazole-5-sulfonic acid?
The canonical SMILES for 2-amino-1,3-thiazole-5-sulfonic acid is Nc1ncc(S(=O)(=O)O)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-sulfonic acid?
The InChIKey is KZGZZBIRYZCFHV-UHFFFAOYSA-N. 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).
What are the key properties of 2-amino-1,3-thiazole-5-sulfonic acid?
2-amino-1,3-thiazole-5-sulfonic acid has a molecular weight of 180.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-sulfonic acid is sourced from PubChem (CID 2829719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).