2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

C14H15Cl2N3O3S — CID 5028574

IUPAC2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCCN1C(=O)C(CC(=O)NC)S/C1=N\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-19-13(22)10(6-11(20)17-2)23-14(19)18-7-4-8(15)12(21)9(16)5-7/h4-5,10,21H,3,6H2,1-2H3,(H,17,20)/b18-14-
InChIKeyDYNASWLPERPIEJ-JXAWBTAJSA-N
MW376.27 g/mol
LogP2.79
Rot. Bonds4

About 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (PubChem CID 5028574) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
PubChem CID5028574
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCCN1C(=O)C(CC(=O)NC)S/C1=N\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-19-13(22)10(6-11(20)17-2)23-14(19)18-7-4-8(15)12(21)9(16)5-7/h4-5,10,21H,3,6H2,1-2H3,(H,17,20)/b18-14-
InChIKeyDYNASWLPERPIEJ-JXAWBTAJSA-N
XLogP2.79
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 40563947
2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 42954767
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077143
N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368670
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077146
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 21368848
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1217928
N-(2,3-dichlorophenyl)-2-[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 5174487

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (CID 5028574) is 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is CCN1C(=O)C(CC(=O)NC)S/C1=N\c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The InChIKey is DYNASWLPERPIEJ-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-3-19-13(22)10(6-11(20)17-2)23-14(19)18-7-4-8(15)12(21)9(16)5-7/h4-5,10,21H,3,6H2,1-2H3,(H,17,20)/b18-14-.
What are the key properties of 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide has a molecular weight of 376.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 5028574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).