2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one

C20H20N2OS — CID 69014599

IUPAC2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C20H20N2OS/c1-3-22(4-2)20-21-19(23)18(24-20)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyYDXCCSSGVTZWSI-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.67
Rot. Bonds4

About 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one

2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 69014599) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID69014599
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C20H20N2OS/c1-3-22(4-2)20-21-19(23)18(24-20)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyYDXCCSSGVTZWSI-UHFFFAOYSA-N
XLogP4.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one (CID 69014599) is 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one is CCN(CC)C1=NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)S1.
What is the InChIKey of 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is YDXCCSSGVTZWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-22(4-2)20-21-19(23)18(24-20)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one?
2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 336.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 69014599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).