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

C19H19N3O3S — CID 135761147

IUPAC2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCOc1ccc(/N=C2\NC(=O)[C@H](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)/t16-/m0/s1
InChIKeyPSWCXQCJDBVUSZ-INIZCTEOSA-N
MW369.45 g/mol
LogP3.33
Rot. Bonds6

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

2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135761147) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135761147
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCOc1ccc(/N=C2\NC(=O)[C@H](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)/t16-/m0/s1
InChIKeyPSWCXQCJDBVUSZ-INIZCTEOSA-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

N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135956752
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691920
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
N-(2,3-dimethylphenyl)-2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834030
2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135618450
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135692005
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135833982

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135761147) is 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is CCOc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1.
What is the InChIKey of 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is PSWCXQCJDBVUSZ-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5S)-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-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135761147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).