2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

C20H18ClN3O3S — CID 9486298

IUPAC2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
SMILESCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O3S/c1-2-24-19(26)17(28-20(24)23-16-6-4-3-5-15(16)21)11-13-7-9-14(10-8-13)27-12-18(22)25/h3-11H,2,12H2,1H3,(H2,22,25)/b17-11+,23-20-
InChIKeyODLHWHPFCWYRJP-BPRJVQAXSA-N
MW415.90 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 9486298) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
PubChem CID9486298
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
SMILESCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O3S/c1-2-24-19(26)17(28-20(24)23-16-6-4-3-5-15(16)21)11-13-7-9-14(10-8-13)27-12-18(22)25/h3-11H,2,12H2,1H3,(H2,22,25)/b17-11+,23-20-
InChIKeyODLHWHPFCWYRJP-BPRJVQAXSA-N
XLogP3.83
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 8990608
(5E)-2-(2-chlorophenyl)imino-3-ethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556302
2-[3-[(E)-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 9486505
2-[4-[(E)-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 9486699
ethyl 3-[[5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3294844
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843784
(5E)-3-ethyl-2-(2-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485732
2-[[(5Z)-5-[[4-(1-carboxypropoxy)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 43861339
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
methyl 3-[[3-ethyl-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 5170954
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-chlorophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486367
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (CID 9486298) is 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is CCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccccc1Cl.
What is the InChIKey of 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The InChIKey is ODLHWHPFCWYRJP-BPRJVQAXSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-2-24-19(26)17(28-20(24)23-16-6-4-3-5-15(16)21)11-13-7-9-14(10-8-13)27-12-18(22)25/h3-11H,2,12H2,1H3,(H2,22,25)/b17-11+,23-20-.
What are the key properties of 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 415.90 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 9486298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).