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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-Acetyl-4-methylthiazol-2-yl)-N,N-dimethylformimidamide
CID 5057684
1-[4-Methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 13162299
1-[2-(3,3-Difluoropyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118674852
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118674854
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118674901
1-[2-(Dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-fluoroprop-2-en-1-one
CID 126534493
(E)-3-(dimethylamino)-1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-fluoroprop-2-en-1-one
CID 135286425
1-[2-(3,3-Difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 146558764
1-(4-Methyl-2-(4-methylpiperazin-1-yl)thiazol-5-yl)ethan-1-one
CID 9111631
1-[2-(Dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethan-1-one
CID 13144634
1-[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55114037
1-[4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62749954

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).