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

C20H20ClN3O3S — CID 17382305

IUPAC2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)C(CC(N)=O)S/C2=N\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-27-16-8-2-13(3-9-16)10-11-24-19(26)17(12-18(22)25)28-20(24)23-15-6-4-14(21)5-7-15/h2-9,17H,10-12H2,1H3,(H2,22,25)/b23-20-
InChIKeyQZJDGRXPJAEPGB-ATJXCDBQSA-N
MW417.92 g/mol
LogP3.40
Rot. Bonds7

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

2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 17382305) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID17382305
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)C(CC(N)=O)S/C2=N\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-27-16-8-2-13(3-9-16)10-11-24-19(26)17(12-18(22)25)28-20(24)23-15-6-4-14(21)5-7-15/h2-9,17H,10-12H2,1H3,(H2,22,25)/b23-20-
InChIKeyQZJDGRXPJAEPGB-ATJXCDBQSA-N
XLogP3.40
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.40
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

ethyl 4-[[5-(2-amino-2-oxoethyl)-3-[2-(4-chlorophenyl)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 17382301
2-[(5R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28776722
2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28776725
N-(3-chlorophenyl)-2-[(5R)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 98307906
(6R)-3-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 41201343
2-[(5R)-2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28776539
2-[(5S)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 28776742
3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3400044
ethyl 4-[[3-[2-(4-chlorophenyl)ethyl]-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3298180
N-(2-fluorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555632
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 17382305) is 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(CCN2C(=O)C(CC(N)=O)S/C2=N\c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QZJDGRXPJAEPGB-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-27-16-8-2-13(3-9-16)10-11-24-19(26)17(12-18(22)25)28-20(24)23-15-6-4-14(21)5-7-15/h2-9,17H,10-12H2,1H3,(H2,22,25)/b23-20-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 417.92 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 17382305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).