1,3-thiazole-5-sulfonamide

C3H4N2O2S2 — CID 23075930

IUPAC1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cncs1
InChIInChI=1S/C3H4N2O2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H,(H2,4,6,7)
InChIKeyOTBFUMSMIVYLAK-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.21
Rot. Bonds1

About 1,3-thiazole-5-sulfonamide

1,3-thiazole-5-sulfonamide (PubChem CID 23075930) has the molecular formula C3H4N2O2S2 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-thiazole-5-sulfonamide
PubChem CID23075930
Molecular FormulaC3H4N2O2S2
Molecular Weight164.21 g/mol
Exact Mass163.97
IUPAC Name1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cncs1
InChIInChI=1S/C3H4N2O2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H,(H2,4,6,7)
InChIKeyOTBFUMSMIVYLAK-UHFFFAOYSA-N
XLogP-0.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-5-sulfonamide?
The IUPAC name of 1,3-thiazole-5-sulfonamide (CID 23075930) is 1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 1,3-thiazole-5-sulfonamide?
The canonical SMILES for 1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cncs1.
What is the InChIKey of 1,3-thiazole-5-sulfonamide?
The InChIKey is OTBFUMSMIVYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2S2/c4-9(6,7)3-1-5-2-8-3/h1-2H,(H2,4,6,7).
What are the key properties of 1,3-thiazole-5-sulfonamide?
1,3-thiazole-5-sulfonamide has a molecular weight of 164.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 23075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).