2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

C18H25N3O2S — CID 3043424

IUPAC2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C)c1/N=C1\SCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C18H25N3O2S/c1-14-5-3-6-15(2)17(14)19-18-21(16(22)13-24-18)8-4-7-20-9-11-23-12-10-20/h3,5-6H,4,7-13H2,1-2H3/b19-18-
InChIKeyXXMAAYGBBDBBIL-HNENSFHCSA-N
MW347.48 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3043424) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID3043424
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C)c1/N=C1\SCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C18H25N3O2S/c1-14-5-3-6-15(2)17(14)19-18-21(16(22)13-24-18)8-4-7-20-9-11-23-12-10-20/h3,5-6H,4,7-13H2,1-2H3/b19-18-
InChIKeyXXMAAYGBBDBBIL-HNENSFHCSA-N
XLogP2.59
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 3043424) is 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is Cc1cccc(C)c1/N=C1\SCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is XXMAAYGBBDBBIL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-5-3-6-15(2)17(14)19-18-21(16(22)13-24-18)8-4-7-20-9-11-23-12-10-20/h3,5-6H,4,7-13H2,1-2H3/b19-18-.
What are the key properties of 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 347.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).