2-methyl-3-methylsulfonyl-2H-1,3-thiazole

C5H9NO2S2 — CID 67482221

IUPAC2-methyl-3-methylsulfonyl-2H-1,3-thiazole
SMILESCC1SC=CN1S(C)(=O)=O
InChIInChI=1S/C5H9NO2S2/c1-5-6(3-4-9-5)10(2,7)8/h3-5H,1-2H3
InChIKeyGNEKYAZDNSTJCM-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.81
Rot. Bonds1

About 2-methyl-3-methylsulfonyl-2H-1,3-thiazole

2-methyl-3-methylsulfonyl-2H-1,3-thiazole (PubChem CID 67482221) has the molecular formula C5H9NO2S2 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-2H-1,3-thiazole
PubChem CID67482221
Molecular FormulaC5H9NO2S2
Molecular Weight179.27 g/mol
Exact Mass179.01
IUPAC Name2-methyl-3-methylsulfonyl-2H-1,3-thiazole
SMILESCC1SC=CN1S(C)(=O)=O
InChIInChI=1S/C5H9NO2S2/c1-5-6(3-4-9-5)10(2,7)8/h3-5H,1-2H3
InChIKeyGNEKYAZDNSTJCM-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-2H-1,3-thiazole?
The IUPAC name of 2-methyl-3-methylsulfonyl-2H-1,3-thiazole (CID 67482221) is 2-methyl-3-methylsulfonyl-2H-1,3-thiazole.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-2H-1,3-thiazole?
The canonical SMILES for 2-methyl-3-methylsulfonyl-2H-1,3-thiazole is CC1SC=CN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonyl-2H-1,3-thiazole?
The InChIKey is GNEKYAZDNSTJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S2/c1-5-6(3-4-9-5)10(2,7)8/h3-5H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonyl-2H-1,3-thiazole?
2-methyl-3-methylsulfonyl-2H-1,3-thiazole has a molecular weight of 179.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-2H-1,3-thiazole is sourced from PubChem (CID 67482221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).