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

C19H19ClN2OS — CID 135458588

IUPAC5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)cc1
InChIInChI=1S/C19H19ClN2OS/c1-12(2)13-7-9-15(10-8-13)21-19-22-18(23)17(24-19)11-14-5-3-4-6-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)
InChIKeyMQAPAJAGYKLYPK-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.93
Rot. Bonds4

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

5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135458588) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135458588
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)cc1
InChIInChI=1S/C19H19ClN2OS/c1-12(2)13-7-9-15(10-8-13)21-19-22-18(23)17(24-19)11-14-5-3-4-6-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)
InChIKeyMQAPAJAGYKLYPK-UHFFFAOYSA-N
XLogP4.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.93
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-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707423
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
(5S)-5-[(2,3-dichlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135665701
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135707347
5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707412
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665258
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136773710
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135446671

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one (CID 135458588) is 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one is CC(C)c1ccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is MQAPAJAGYKLYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-12(2)13-7-9-15(10-8-13)21-19-22-18(23)17(24-19)11-14-5-3-4-6-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one?
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 358.89 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135458588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).