2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

C19H18ClN3O2S — CID 135463157

IUPAC2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CC2S/C(=N\c3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C19H18ClN3O2S/c1-11-7-8-12(2)15(9-11)21-17(24)10-16-18(25)23-19(26-16)22-14-6-4-3-5-13(14)20/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyFZIWAIYGXCODCO-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.20
Rot. Bonds4

About 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 135463157) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID135463157
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CC2S/C(=N\c3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C19H18ClN3O2S/c1-11-7-8-12(2)15(9-11)21-17(24)10-16-18(25)23-19(26-16)22-14-6-4-3-5-13(14)20/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyFZIWAIYGXCODCO-UHFFFAOYSA-N
XLogP4.20
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 135463157) is 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CC2S/C(=N\c3ccccc3Cl)NC2=O)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FZIWAIYGXCODCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11-7-8-12(2)15(9-11)21-17(24)10-16-18(25)23-19(26-16)22-14-6-4-3-5-13(14)20/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 135463157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).