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

C17H16N2OS — CID 135414145

IUPAC5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N\c3ccccc3)NC2=O)c1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-7-13(10-12)11-15-16(20)19-17(21-15)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,19,20)
InChIKeyAMTIOJHYKCVWCY-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.46
Rot. Bonds3

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

5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135414145) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135414145
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N\c3ccccc3)NC2=O)c1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-7-13(10-12)11-15-16(20)19-17(21-15)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,19,20)
InChIKeyAMTIOJHYKCVWCY-UHFFFAOYSA-N
XLogP3.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707412
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
(2E)-5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
CID 135856594
5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
CID 135454568
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(2E,5R)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780019
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
(5R)-2-(4-fluorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135690239
(5S)-2-(4-chlorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555571
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (CID 135414145) is 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is Cc1cccc(CC2S/C(=N\c3ccccc3)NC2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AMTIOJHYKCVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-6-5-7-13(10-12)11-15-16(20)19-17(21-15)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,19,20).
What are the key properties of 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).