5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one

C20H22N2OS — CID 135707412

IUPAC5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N/c3ccc(C(C)C)cc3)NC2=O)c1
InChIInChI=1S/C20H22N2OS/c1-13(2)16-7-9-17(10-8-16)21-20-22-19(23)18(24-20)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,22,23)
InChIKeyGYOKBNAROTXYBP-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.58
Rot. Bonds4

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

5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135707412) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135707412
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N/c3ccc(C(C)C)cc3)NC2=O)c1
InChIInChI=1S/C20H22N2OS/c1-13(2)16-7-9-17(10-8-16)21-20-22-19(23)18(24-20)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,22,23)
InChIKeyGYOKBNAROTXYBP-UHFFFAOYSA-N
XLogP4.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.58
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-phenylimino-1,3-thiazolidin-4-one
CID 135414145
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135707347
(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
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135458588
(5S)-2-(4-chlorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555571
2-(4-chlorophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 86261402
(5R)-2-(4-fluorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135690239
(2E,5R)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780019
5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707423
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one (CID 135707412) is 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(CC2S/C(=N/c3ccc(C(C)C)cc3)NC2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is GYOKBNAROTXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13(2)16-7-9-17(10-8-16)21-20-22-19(23)18(24-20)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,22,23).
What are the key properties of 5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 338.48 g/mol, XLogP of 4.58, 4 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-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).