N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide

C19H19N3O3S — CID 3740688

IUPACN-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-10-8-13(9-11-15)21-17(23)12-16-18(24)22(19(20)26-16)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,21,23)/b20-19-
InChIKeyDYFKKLILWRENHF-VXPUYCOJSA-N
MW369.45 g/mol
LogP3.50
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide

N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3740688) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
PubChem CID3740688
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-10-8-13(9-11-15)21-17(23)12-16-18(24)22(19(20)26-16)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,21,23)/b20-19-
InChIKeyDYFKKLILWRENHF-VXPUYCOJSA-N
XLogP3.50
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.50
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

N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 99806125
ethyl 4-[[2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 99806127
2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 99806121
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5037401
5-[[2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 43863826
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18891991
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41140598
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 5093361

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (CID 3740688) is N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\SC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is DYFKKLILWRENHF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-15-10-8-13(9-11-15)21-17(23)12-16-18(24)22(19(20)26-16)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,21,23)/b20-19-.
What are the key properties of N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3740688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).