2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one

C13H16N2O2S — CID 155581327

IUPAC2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(C)cc1C(C)OC
InChIInChI=1S/C13H16N2O2S/c1-8-4-5-11(10(6-8)9(2)17-3)15-12(16)7-18-13(15)14/h4-6,9,14H,7H2,1-3H3/b14-13-
InChIKeyJTJMLPDRKWGTIG-YPKPFQOOSA-N
MW264.35 g/mol
LogP2.72
Rot. Bonds3

About 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one

2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one (PubChem CID 155581327) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
PubChem CID155581327
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(C)cc1C(C)OC
InChIInChI=1S/C13H16N2O2S/c1-8-4-5-11(10(6-8)9(2)17-3)15-12(16)7-18-13(15)14/h4-6,9,14H,7H2,1-3H3/b14-13-
InChIKeyJTJMLPDRKWGTIG-YPKPFQOOSA-N
XLogP2.72
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580337
2-Imino-3-[5-methyl-2-(3,3,3-trifluoropropoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 155580477
2-Imino-3-[2-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 155580479
2-Imino-3-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 155580482
3-[2-(2-Fluoroethoxymethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580507
3-[2-(2,2-Difluoropropoxymethyl)phenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580533
3-[2-(2,2-Difluoropropoxymethyl)-4-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580567
3-[2-[(3-Fluorophenyl)methoxymethyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580584
3-[2-[(2-Fluoro-2-methylpropoxy)methyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580612
3-[4,5-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580629
3-[2-[(4-Fluorophenyl)methoxymethyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580657
3-[2-(2,2-Difluoropropoxymethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580735

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one (CID 155581327) is 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccc(C)cc1C(C)OC.
What is the InChIKey of 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one?
The InChIKey is JTJMLPDRKWGTIG-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-4-5-11(10(6-8)9(2)17-3)15-12(16)7-18-13(15)14/h4-6,9,14H,7H2,1-3H3/b14-13-.
What are the key properties of 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one?
2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155581327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).