2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole

C6H8BrNO2S2 — CID 130153728

IUPAC2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
SMILESCS(=O)(=O)CCc1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S2/c1-12(9,10)3-2-5-4-8-6(7)11-5/h4H,2-3H2,1H3
InChIKeyRDXLQCKSEBAXSE-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.49
Rot. Bonds3

About 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole

2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole (PubChem CID 130153728) has the molecular formula C6H8BrNO2S2 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
PubChem CID130153728
Molecular FormulaC6H8BrNO2S2
Molecular Weight270.17 g/mol
Exact Mass268.92
IUPAC Name2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
SMILESCS(=O)(=O)CCc1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S2/c1-12(9,10)3-2-5-4-8-6(7)11-5/h4H,2-3H2,1H3
InChIKeyRDXLQCKSEBAXSE-UHFFFAOYSA-N
XLogP1.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole (CID 130153728) is 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole is CS(=O)(=O)CCc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole?
The InChIKey is RDXLQCKSEBAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S2/c1-12(9,10)3-2-5-4-8-6(7)11-5/h4H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole?
2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole has a molecular weight of 270.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole is sourced from PubChem (CID 130153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).