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

C17H23N3O2S — CID 3043422

IUPAC2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-14-3-5-15(6-4-14)18-17-20(16(21)13-23-17)8-2-7-19-9-11-22-12-10-19/h3-6H,2,7-13H2,1H3/b18-17-
InChIKeyZDQPPESKBCASQW-ZCXUNETKSA-N
MW333.46 g/mol
LogP2.28
Rot. Bonds5

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

2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3043422) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID3043422
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-14-3-5-15(6-4-14)18-17-20(16(21)13-23-17)8-2-7-19-9-11-22-12-10-19/h3-6H,2,7-13H2,1H3/b18-17-
InChIKeyZDQPPESKBCASQW-ZCXUNETKSA-N
XLogP2.28
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.28
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-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 3043422) is 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is ZDQPPESKBCASQW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-14-3-5-15(6-4-14)18-17-20(16(21)13-23-17)8-2-7-19-9-11-22-12-10-19/h3-6H,2,7-13H2,1H3/b18-17-.
What are the key properties of 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 333.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).