2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C18H24N2O3S — CID 138026958

IUPAC2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccccc1C1=CCN(C(=O)CC2(C)CCS(=O)(=O)N2)CC1
InChIInChI=1S/C18H24N2O3S/c1-14-5-3-4-6-16(14)15-7-10-20(11-8-15)17(21)13-18(2)9-12-24(22,23)19-18/h3-7,19H,8-13H2,1-2H3
InChIKeyVQSBCSUBVQQTBL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.08
Rot. Bonds3

About 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 138026958) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID138026958
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccccc1C1=CCN(C(=O)CC2(C)CCS(=O)(=O)N2)CC1
InChIInChI=1S/C18H24N2O3S/c1-14-5-3-4-6-16(14)15-7-10-20(11-8-15)17(21)13-18(2)9-12-24(22,23)19-18/h3-7,19H,8-13H2,1-2H3
InChIKeyVQSBCSUBVQQTBL-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 167828857
2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165486572
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 81171726
[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 167939408
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
CID 9079467
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 56800121
2-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 166277844
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
CID 8576335

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 138026958) is 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1ccccc1C1=CCN(C(=O)CC2(C)CCS(=O)(=O)N2)CC1.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is VQSBCSUBVQQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-5-3-4-6-16(14)15-7-10-20(11-8-15)17(21)13-18(2)9-12-24(22,23)19-18/h3-7,19H,8-13H2,1-2H3.
What are the key properties of 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 348.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 138026958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).