2-ethylsulfanyl-1,3-thiazole-5-sulfonamide

C5H8N2O2S3 — CID 22406943

IUPAC2-ethylsulfanyl-1,3-thiazole-5-sulfonamide
SMILESCCSc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O2S3/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3,(H2,6,8,9)
InChIKeyPCZOUMSCMINZHZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.90
Rot. Bonds3

About 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide

2-ethylsulfanyl-1,3-thiazole-5-sulfonamide (PubChem CID 22406943) has the molecular formula C5H8N2O2S3 and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3-thiazole-5-sulfonamide
PubChem CID22406943
Molecular FormulaC5H8N2O2S3
Molecular Weight224.33 g/mol
Exact Mass223.97
IUPAC Name2-ethylsulfanyl-1,3-thiazole-5-sulfonamide
SMILESCCSc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O2S3/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3,(H2,6,8,9)
InChIKeyPCZOUMSCMINZHZ-UHFFFAOYSA-N
XLogP0.90
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide (CID 22406943) is 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide is CCSc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PCZOUMSCMINZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S3/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3,(H2,6,8,9).
What are the key properties of 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide?
2-ethylsulfanyl-1,3-thiazole-5-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).