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

C19H18ClN3O2S — CID 135483407

IUPAC2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-11-3-6-15(9-12(11)2)21-17(24)10-16-18(25)23-19(26-16)22-14-7-4-13(20)5-8-14/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyACQSRWGWHHIWSG-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.20
Rot. Bonds4

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

2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 135483407) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID135483407
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-11-3-6-15(9-12(11)2)21-17(24)10-16-18(25)23-19(26-16)22-14-7-4-13(20)5-8-14/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyACQSRWGWHHIWSG-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-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide (CID 135483407) is 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ACQSRWGWHHIWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11-3-6-15(9-12(11)2)21-17(24)10-16-18(25)23-19(26-16)22-14-7-4-13(20)5-8-14/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-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-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 135483407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).