2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one

C15H22N2O2S — CID 42814135

IUPAC2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)C(C)SC1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-11-14(18)17(9-10-19-4)15(20-11)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyANTQQEYYAOTZSC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one

2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 42814135) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID42814135
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)C(C)SC1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-11-14(18)17(9-10-19-4)15(20-11)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyANTQQEYYAOTZSC-UHFFFAOYSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42814559
3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 42814191
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814458
2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108615515
2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4735106
2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42814491
3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 42814189
(4Z)-5-[4-(dimethylamino)phenyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108615551
(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 10421066
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879
N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42814560
2-[4-(dimethylamino)phenyl]-5-methyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 11180092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one (CID 42814135) is 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one is COCCN1C(=O)C(C)SC1c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is ANTQQEYYAOTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-14(18)17(9-10-19-4)15(20-11)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).