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

C5H8N2O3S2 — CID 137459279

IUPAC2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O3S2/c1-3(8)5-7-2-4(11-5)12(6,9)10/h2-3,8H,1H3,(H2,6,9,10)
InChIKeyXPTKUALWPLTYOV-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.16
Rot. Bonds2

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

2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 137459279) has the molecular formula C5H8N2O3S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID137459279
Molecular FormulaC5H8N2O3S2
Molecular Weight208.26 g/mol
Exact Mass208.00
IUPAC Name2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H8N2O3S2/c1-3(8)5-7-2-4(11-5)12(6,9)10/h2-3,8H,1H3,(H2,6,9,10)
InChIKeyXPTKUALWPLTYOV-UHFFFAOYSA-N
XLogP-0.16
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide (CID 137459279) is 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide is CC(O)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XPTKUALWPLTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S2/c1-3(8)5-7-2-4(11-5)12(6,9)10/h2-3,8H,1H3,(H2,6,9,10).
What are the key properties of 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 208.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 137459279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).