2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C19H19N3O3S — CID 135472706

IUPAC2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-10-8-14(9-11-15)21-19-22-18(24)16(26-19)12-17(23)20-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyPSWCXQCJDBVUSZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135472706) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135472706
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-10-8-14(9-11-15)21-19-22-18(24)16(26-19)12-17(23)20-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyPSWCXQCJDBVUSZ-UHFFFAOYSA-N
XLogP3.33
TPSA79.79 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 ≤ 53.33
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-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide
CID 135520999
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
methyl {(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl}acetate
CID 135511624
(2Z)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135429736
N-(4-butoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 2164243
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
(2Z)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3240095
1-(4-Ethoxyphenyl)-3-[(5-ethyl-4,6-dihydroxy-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
CID 2950349
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxamide
CID 3154428
N-(4-ethoxyphenyl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135511550
CID 2872840
CID 2872840
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
CID 2892994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135472706) is 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is CCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is PSWCXQCJDBVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-15-10-8-14(9-11-15)21-19-22-18(24)16(26-19)12-17(23)20-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135472706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).