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

C20H22N2OS — CID 135707347

IUPAC2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1
InChIInChI=1S/C20H22N2OS/c1-13(2)16-8-6-15(7-9-16)12-18-19(23)22-20(24-18)21-17-10-4-14(3)5-11-17/h4-11,13,18H,12H2,1-3H3,(H,21,22,23)
InChIKeyGACMQJCLKIRAPR-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.58
Rot. Bonds4

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

2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135707347) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135707347
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1
InChIInChI=1S/C20H22N2OS/c1-13(2)16-8-6-15(7-9-16)12-18-19(23)22-20(24-18)21-17-10-4-14(3)5-11-17/h4-11,13,18H,12H2,1-3H3,(H,21,22,23)
InChIKeyGACMQJCLKIRAPR-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-(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
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135458588
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135446671
5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135707373
5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137185309
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
2-(4-fluorophenyl)imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455198
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235
5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707423
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135707347) is 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1.
What is the InChIKey of 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GACMQJCLKIRAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13(2)16-8-6-15(7-9-16)12-18-19(23)22-20(24-18)21-17-10-4-14(3)5-11-17/h4-11,13,18H,12H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-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 2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).