3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one

C19H20N2O2S — CID 10337318

IUPAC3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O2S/c22-18-14-24-19(15-4-2-1-3-5-15)21(18)17-8-6-16(7-9-17)20-10-12-23-13-11-20/h1-9,19H,10-14H2
InChIKeyAQOLEDGPEVKAAY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one

3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 10337318) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID10337318
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O2S/c22-18-14-24-19(15-4-2-1-3-5-15)21(18)17-8-6-16(7-9-17)20-10-12-23-13-11-20/h1-9,19H,10-14H2
InChIKeyAQOLEDGPEVKAAY-UHFFFAOYSA-N
XLogP3.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 10337318) is 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is AQOLEDGPEVKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18-14-24-19(15-4-2-1-3-5-15)21(18)17-8-6-16(7-9-17)20-10-12-23-13-11-20/h1-9,19H,10-14H2.
What are the key properties of 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10337318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).