2-amino-1,3-thiazole-4-sulfonamide

C3H5N3O2S2 — CID 45080581

IUPAC2-amino-1,3-thiazole-4-sulfonamide
SMILESNc1nc(S(N)(=O)=O)cs1
InChIInChI=1S/C3H5N3O2S2/c4-3-6-2(1-9-3)10(5,7)8/h1H,(H2,4,6)(H2,5,7,8)
InChIKeyUACFGUYYKHWWCK-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.63
Rot. Bonds1

About 2-amino-1,3-thiazole-4-sulfonamide

2-amino-1,3-thiazole-4-sulfonamide (PubChem CID 45080581) has the molecular formula C3H5N3O2S2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-amino-1,3-thiazole-4-sulfonamide
PubChem CID45080581
Molecular FormulaC3H5N3O2S2
Molecular Weight179.23 g/mol
Exact Mass178.98
IUPAC Name2-amino-1,3-thiazole-4-sulfonamide
SMILESNc1nc(S(N)(=O)=O)cs1
InChIInChI=1S/C3H5N3O2S2/c4-3-6-2(1-9-3)10(5,7)8/h1H,(H2,4,6)(H2,5,7,8)
InChIKeyUACFGUYYKHWWCK-UHFFFAOYSA-N
XLogP-0.63
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-amino-1,3-thiazole-4-sulfonamide (CID 45080581) is 2-amino-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-amino-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-amino-1,3-thiazole-4-sulfonamide is Nc1nc(S(N)(=O)=O)cs1.
What is the InChIKey of 2-amino-1,3-thiazole-4-sulfonamide?
The InChIKey is UACFGUYYKHWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S2/c4-3-6-2(1-9-3)10(5,7)8/h1H,(H2,4,6)(H2,5,7,8).
What are the key properties of 2-amino-1,3-thiazole-4-sulfonamide?
2-amino-1,3-thiazole-4-sulfonamide has a molecular weight of 179.23 g/mol, XLogP of -0.63, 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-4-sulfonamide is sourced from PubChem (CID 45080581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).