3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

C20H23N3O2S — CID 3043427

IUPAC3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc3ccccc23)N1CCCN1CCOCC1
InChIInChI=1S/C20H23N3O2S/c24-19-15-26-20(23(19)10-4-9-22-11-13-25-14-12-22)21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8H,4,9-15H2/b21-20-
InChIKeySUVAAAOUYUFRPO-MRCUWXFGSA-N
MW369.49 g/mol
LogP3.12
Rot. Bonds5

About 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 3043427) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID3043427
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc3ccccc23)N1CCCN1CCOCC1
InChIInChI=1S/C20H23N3O2S/c24-19-15-26-20(23(19)10-4-9-22-11-13-25-14-12-22)21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8H,4,9-15H2/b21-20-
InChIKeySUVAAAOUYUFRPO-MRCUWXFGSA-N
XLogP3.12
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.12
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 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 3043427) is 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc3ccccc23)N1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is SUVAAAOUYUFRPO-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19-15-26-20(23(19)10-4-9-22-11-13-25-14-12-22)21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8H,4,9-15H2/b21-20-.
What are the key properties of 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 369.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).