5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide

C5H8N2O3S3 — CID 15337827

IUPAC5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(SCCO)s1
InChIInChI=1S/C5H8N2O3S3/c6-13(9,10)5-7-3-4(12-5)11-2-1-8/h3,8H,1-2H2,(H2,6,9,10)
InChIKeyYAHABGLPXLYQSA-UHFFFAOYSA-N
MW240.33 g/mol
LogP-0.13
Rot. Bonds4

About 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide

5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide (PubChem CID 15337827) has the molecular formula C5H8N2O3S3 and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide
PubChem CID15337827
Molecular FormulaC5H8N2O3S3
Molecular Weight240.33 g/mol
Exact Mass239.97
IUPAC Name5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(SCCO)s1
InChIInChI=1S/C5H8N2O3S3/c6-13(9,10)5-7-3-4(12-5)11-2-1-8/h3,8H,1-2H2,(H2,6,9,10)
InChIKeyYAHABGLPXLYQSA-UHFFFAOYSA-N
XLogP-0.13
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide (CID 15337827) is 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide is NS(=O)(=O)c1ncc(SCCO)s1.
What is the InChIKey of 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is YAHABGLPXLYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S3/c6-13(9,10)5-7-3-4(12-5)11-2-1-8/h3,8H,1-2H2,(H2,6,9,10).
What are the key properties of 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide?
5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylsulfanyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 15337827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).