5-methyl-1,2-thiazole-4-sulfonamide

C4H6N2O2S2 — CID 45080585

IUPAC5-methyl-1,2-thiazole-4-sulfonamide
SMILESCc1sncc1S(N)(=O)=O
InChIInChI=1S/C4H6N2O2S2/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3,(H2,5,7,8)
InChIKeyOPSQXNAOSMIKMP-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.10
Rot. Bonds1

About 5-methyl-1,2-thiazole-4-sulfonamide

5-methyl-1,2-thiazole-4-sulfonamide (PubChem CID 45080585) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-1,2-thiazole-4-sulfonamide
PubChem CID45080585
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC Name5-methyl-1,2-thiazole-4-sulfonamide
SMILESCc1sncc1S(N)(=O)=O
InChIInChI=1S/C4H6N2O2S2/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3,(H2,5,7,8)
InChIKeyOPSQXNAOSMIKMP-UHFFFAOYSA-N
XLogP0.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 5-methyl-1,2-thiazole-4-sulfonamide (CID 45080585) is 5-methyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 5-methyl-1,2-thiazole-4-sulfonamide is Cc1sncc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-1,2-thiazole-4-sulfonamide?
The InChIKey is OPSQXNAOSMIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3,(H2,5,7,8).
What are the key properties of 5-methyl-1,2-thiazole-4-sulfonamide?
5-methyl-1,2-thiazole-4-sulfonamide has a molecular weight of 178.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 45080585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).