4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole

C8H13NO2S2 — CID 71874694

IUPAC4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCCc1nc(CS(C)(=O)=O)sc1C
InChIInChI=1S/C8H13NO2S2/c1-4-7-6(2)12-8(9-7)5-13(3,10)11/h4-5H2,1-3H3
InChIKeyGMYOHUJLZQCBQI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.56
Rot. Bonds3

About 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole

4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 71874694) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID71874694
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCCc1nc(CS(C)(=O)=O)sc1C
InChIInChI=1S/C8H13NO2S2/c1-4-7-6(2)12-8(9-7)5-13(3,10)11/h4-5H2,1-3H3
InChIKeyGMYOHUJLZQCBQI-UHFFFAOYSA-N
XLogP1.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole (CID 71874694) is 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole is CCc1nc(CS(C)(=O)=O)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is GMYOHUJLZQCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-4-7-6(2)12-8(9-7)5-13(3,10)11/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 219.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71874694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).