2-amino-4-methyl-1,3-thiazole-5-sulfonic acid

C4H6N2O3S2 — CID 3281421

IUPAC2-amino-4-methyl-1,3-thiazole-5-sulfonic acid
SMILESCc1nc(N)sc1S(=O)(=O)O
InChIInChI=1S/C4H6N2O3S2/c1-2-3(11(7,8)9)10-4(5)6-2/h1H3,(H2,5,6)(H,7,8,9)
InChIKeyILGZGZSPCMKSEQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.28
Rot. Bonds1

About 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid

2-amino-4-methyl-1,3-thiazole-5-sulfonic acid (PubChem CID 3281421) has the molecular formula C4H6N2O3S2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid.

Molecular Properties

Compound Name2-amino-4-methyl-1,3-thiazole-5-sulfonic acid
PubChem CID3281421
Molecular FormulaC4H6N2O3S2
Molecular Weight194.24 g/mol
Exact Mass193.98
IUPAC Name2-amino-4-methyl-1,3-thiazole-5-sulfonic acid
SMILESCc1nc(N)sc1S(=O)(=O)O
InChIInChI=1S/C4H6N2O3S2/c1-2-3(11(7,8)9)10-4(5)6-2/h1H3,(H2,5,6)(H,7,8,9)
InChIKeyILGZGZSPCMKSEQ-UHFFFAOYSA-N
XLogP0.28
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.28
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-4-methyl-1,3-thiazole-5-sulfonic acid?
The IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid (CID 3281421) is 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid.
What is the SMILES notation for 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid?
The canonical SMILES for 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid is Cc1nc(N)sc1S(=O)(=O)O.
What is the InChIKey of 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid?
The InChIKey is ILGZGZSPCMKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3S2/c1-2-3(11(7,8)9)10-4(5)6-2/h1H3,(H2,5,6)(H,7,8,9).
What are the key properties of 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid?
2-amino-4-methyl-1,3-thiazole-5-sulfonic acid has a molecular weight of 194.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,3-thiazole-5-sulfonic acid is sourced from PubChem (CID 3281421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).