4-ethylsulfonyl-2-methyl-1,3-thiazole

C6H9NO2S2 — CID 67482150

IUPAC4-ethylsulfonyl-2-methyl-1,3-thiazole
SMILESCCS(=O)(=O)c1csc(C)n1
InChIInChI=1S/C6H9NO2S2/c1-3-11(8,9)6-4-10-5(2)7-6/h4H,3H2,1-2H3
InChIKeyGLFUDZMFYHSGLH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.25
Rot. Bonds2

About 4-ethylsulfonyl-2-methyl-1,3-thiazole

4-ethylsulfonyl-2-methyl-1,3-thiazole (PubChem CID 67482150) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethylsulfonyl-2-methyl-1,3-thiazole
PubChem CID67482150
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name4-ethylsulfonyl-2-methyl-1,3-thiazole
SMILESCCS(=O)(=O)c1csc(C)n1
InChIInChI=1S/C6H9NO2S2/c1-3-11(8,9)6-4-10-5(2)7-6/h4H,3H2,1-2H3
InChIKeyGLFUDZMFYHSGLH-UHFFFAOYSA-N
XLogP1.25
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-methyl-1,3-thiazole?
The IUPAC name of 4-ethylsulfonyl-2-methyl-1,3-thiazole (CID 67482150) is 4-ethylsulfonyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethylsulfonyl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-ethylsulfonyl-2-methyl-1,3-thiazole is CCS(=O)(=O)c1csc(C)n1.
What is the InChIKey of 4-ethylsulfonyl-2-methyl-1,3-thiazole?
The InChIKey is GLFUDZMFYHSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-3-11(8,9)6-4-10-5(2)7-6/h4H,3H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-methyl-1,3-thiazole?
4-ethylsulfonyl-2-methyl-1,3-thiazole has a molecular weight of 191.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 67482150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).