3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C23H20N2O2S2 — CID 16633843

IUPAC3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C23H20N2O2S2/c1-15-6-3-8-17(12-15)24-23-25(18-9-4-7-16(2)13-18)22(27)21(29-23)14-19(26)20-10-5-11-28-20/h3-13,21H,14H2,1-2H3/b24-23-
InChIKeyIWMGFKWHZCOBRT-VHXPQNKSSA-N
MW420.56 g/mol
LogP5.77
Rot. Bonds5

About 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 16633843) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID16633843
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C23H20N2O2S2/c1-15-6-3-8-17(12-15)24-23-25(18-9-4-7-16(2)13-18)22(27)21(29-23)14-19(26)20-10-5-11-28-20/h3-13,21H,14H2,1-2H3/b24-23-
InChIKeyIWMGFKWHZCOBRT-VHXPQNKSSA-N
XLogP5.77
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.77
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-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 16633843) is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2cccc(C)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is IWMGFKWHZCOBRT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-6-3-8-17(12-15)24-23-25(18-9-4-7-16(2)13-18)22(27)21(29-23)14-19(26)20-10-5-11-28-20/h3-13,21H,14H2,1-2H3/b24-23-.
What are the key properties of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).