2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C14H15ClN2O4S — CID 45143212

IUPAC2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)C(CC(=O)O)S/C1=N/c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClN2O4S/c1-3-17-13(20)11(7-12(18)19)22-14(17)16-9-6-8(15)4-5-10(9)21-2/h4-6,11H,3,7H2,1-2H3,(H,18,19)/b16-14+
InChIKeyONFZGMYIMNHAQA-JQIJEIRASA-N
MW342.80 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 45143212) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID45143212
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)C(CC(=O)O)S/C1=N/c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClN2O4S/c1-3-17-13(20)11(7-12(18)19)22-14(17)16-9-6-8(15)4-5-10(9)21-2/h4-6,11H,3,7H2,1-2H3,(H,18,19)/b16-14+
InChIKeyONFZGMYIMNHAQA-JQIJEIRASA-N
XLogP2.77
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41201265
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368734
4-[[2-[2-(4-chloro-2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 4220523
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 9430014
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9498919
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3941970
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 45143212) is 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is CCN1C(=O)C(CC(=O)O)S/C1=N/c1cc(Cl)ccc1OC.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is ONFZGMYIMNHAQA-JQIJEIRASA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-3-17-13(20)11(7-12(18)19)22-14(17)16-9-6-8(15)4-5-10(9)21-2/h4-6,11H,3,7H2,1-2H3,(H,18,19)/b16-14+.
What are the key properties of 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 342.80 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 45143212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).