2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

C16H20N2O3S2 — CID 664536

IUPAC2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1
InChIInChI=1S/C16H20N2O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)15-6-4-5-14(7-15)16-10-22-13(3)17-16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFTQPXQBFXHPOMK-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.92
Rot. Bonds3

About 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 664536) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID664536
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1
InChIInChI=1S/C16H20N2O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)15-6-4-5-14(7-15)16-10-22-13(3)17-16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFTQPXQBFXHPOMK-UHFFFAOYSA-N
XLogP2.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine 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

1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
4-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 829818
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921
4-[3-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
4-[3-(2-Pyridin-3-yl-thiazol-4-yl)-benzenesulfonyl]-morpholine
CID 1892043
1-{[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}-4-phenethylpiperazine
CID 2810366
2-Methyl-4-{3-[(3-methylpiperidino)sulfonyl]phenyl}-1,3-thiazole
CID 3773079
1-(2,6-Dimethylmorpholin-4-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 9551920

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 664536) is 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1.
What is the InChIKey of 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is FTQPXQBFXHPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)15-6-4-5-14(7-15)16-10-22-13(3)17-16/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 352.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 664536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).