3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one

C23H18N2OS — CID 123424373

IUPAC3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=Cc2cccc(-c3ccccc3)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C23H18N2OS/c1-25-22(26)21(27-23(25)24-20-13-6-3-7-14-20)16-17-9-8-12-19(15-17)18-10-4-2-5-11-18/h2-16H,1H3/b21-16?,24-23+
InChIKeyOOKYBPDLVZFTBE-ZKZPHZQUSA-N
MW370.48 g/mol
LogP5.59
Rot. Bonds3

About 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one

3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 123424373) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID123424373
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=Cc2cccc(-c3ccccc3)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C23H18N2OS/c1-25-22(26)21(27-23(25)24-20-13-6-3-7-14-20)16-17-9-8-12-19(15-17)18-10-4-2-5-11-18/h2-16H,1H3/b21-16?,24-23+
InChIKeyOOKYBPDLVZFTBE-ZKZPHZQUSA-N
XLogP5.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methoxy-4-methylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1229073
(5E)-3-methyl-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50857329
(5E)-2-(4-fluorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485805
(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 27409005
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1233236
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2936569
(5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 50858154
propan-2-yl 3-[[(5E)-5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 9485455
2-(4-chlorophenyl)imino-3-methyl-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4078949
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5E)-5-benzylidene-3-methyl-2-[3-(piperidine-1-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 9485519
(5E)-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 9484951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 123424373) is 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is CN1C(=O)C(=Cc2cccc(-c3ccccc3)c2)S/C1=N/c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OOKYBPDLVZFTBE-ZKZPHZQUSA-N. The full InChI is InChI=1S/C23H18N2OS/c1-25-22(26)21(27-23(25)24-20-13-6-3-7-14-20)16-17-9-8-12-19(15-17)18-10-4-2-5-11-18/h2-16H,1H3/b21-16?,24-23+.
What are the key properties of 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?
3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 370.48 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 123424373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).