1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone

C10H16N2O3S2 — CID 79858127

IUPAC1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CCS(C)(=O)=O)nc1C
InChIInChI=1S/C10H16N2O3S2/c1-7-9(8(2)13)16-10(11-7)12(3)5-6-17(4,14)15/h5-6H2,1-4H3
InChIKeySEBOQGKKIYJYAW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.13
Rot. Bonds5

About 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 79858127) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID79858127
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CCS(C)(=O)=O)nc1C
InChIInChI=1S/C10H16N2O3S2/c1-7-9(8(2)13)16-10(11-7)12(3)5-6-17(4,14)15/h5-6H2,1-4H3
InChIKeySEBOQGKKIYJYAW-UHFFFAOYSA-N
XLogP1.13
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone (CID 79858127) is 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)CCS(C)(=O)=O)nc1C.
What is the InChIKey of 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is SEBOQGKKIYJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7-9(8(2)13)16-10(11-7)12(3)5-6-17(4,14)15/h5-6H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79858127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).