methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

C17H24N2O2S — CID 22951369

IUPACmethyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS/C(=N\c2ccc(C)cc2C)N1CC(C)C
InChIInChI=1S/C17H24N2O2S/c1-11(2)9-19-15(16(20)21-5)10-22-17(19)18-14-7-6-12(3)8-13(14)4/h6-8,11,15H,9-10H2,1-5H3/b18-17-
InChIKeyJLSVFTHJFQHJMB-ZCXUNETKSA-N
MW320.46 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 22951369) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID22951369
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Namemethyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS/C(=N\c2ccc(C)cc2C)N1CC(C)C
InChIInChI=1S/C17H24N2O2S/c1-11(2)9-19-15(16(20)21-5)10-22-17(19)18-14-7-6-12(3)8-13(14)4/h6-8,11,15H,9-10H2,1-5H3/b18-17-
InChIKeyJLSVFTHJFQHJMB-ZCXUNETKSA-N
XLogP3.54
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 22951369) is methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CS/C(=N\c2ccc(C)cc2C)N1CC(C)C.
What is the InChIKey of methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is JLSVFTHJFQHJMB-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11(2)9-19-15(16(20)21-5)10-22-17(19)18-14-7-6-12(3)8-13(14)4/h6-8,11,15H,9-10H2,1-5H3/b18-17-.
What are the key properties of methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 22951369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).