5-bromo-2-ethylsulfonyl-1,3-thiazole

C5H6BrNO2S2 — CID 117190341

IUPAC5-bromo-2-ethylsulfonyl-1,3-thiazole
SMILESCCS(=O)(=O)c1ncc(Br)s1
InChIInChI=1S/C5H6BrNO2S2/c1-2-11(8,9)5-7-3-4(6)10-5/h3H,2H2,1H3
InChIKeyZNHFJFSBJSRWKX-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.70
Rot. Bonds2

About 5-bromo-2-ethylsulfonyl-1,3-thiazole

5-bromo-2-ethylsulfonyl-1,3-thiazole (PubChem CID 117190341) has the molecular formula C5H6BrNO2S2 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-2-ethylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-ethylsulfonyl-1,3-thiazole
PubChem CID117190341
Molecular FormulaC5H6BrNO2S2
Molecular Weight256.15 g/mol
Exact Mass254.90
IUPAC Name5-bromo-2-ethylsulfonyl-1,3-thiazole
SMILESCCS(=O)(=O)c1ncc(Br)s1
InChIInChI=1S/C5H6BrNO2S2/c1-2-11(8,9)5-7-3-4(6)10-5/h3H,2H2,1H3
InChIKeyZNHFJFSBJSRWKX-UHFFFAOYSA-N
XLogP1.70
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylsulfonyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-ethylsulfonyl-1,3-thiazole (CID 117190341) is 5-bromo-2-ethylsulfonyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-ethylsulfonyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-ethylsulfonyl-1,3-thiazole is CCS(=O)(=O)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-ethylsulfonyl-1,3-thiazole?
The InChIKey is ZNHFJFSBJSRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2S2/c1-2-11(8,9)5-7-3-4(6)10-5/h3H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylsulfonyl-1,3-thiazole?
5-bromo-2-ethylsulfonyl-1,3-thiazole has a molecular weight of 256.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylsulfonyl-1,3-thiazole is sourced from PubChem (CID 117190341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).