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

C23H25N3O3S — CID 8715980

IUPAC2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-19-12-8-17(9-13-19)25-23-26(18-10-11-18)22(28)20(30-23)14-21(27)24-16-6-4-15(2)5-7-16/h4-9,12-13,18,20H,3,10-11,14H2,1-2H3,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyAJZIERTYGUAIRH-ZPKJPUMHSA-N
MW423.54 g/mol
LogP4.52
Rot. Bonds7

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

2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 8715980) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID8715980
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-19-12-8-17(9-13-19)25-23-26(18-10-11-18)22(28)20(30-23)14-21(27)24-16-6-4-15(2)5-7-16/h4-9,12-13,18,20H,3,10-11,14H2,1-2H3,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyAJZIERTYGUAIRH-ZPKJPUMHSA-N
XLogP4.52
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.52
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

2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715878
2-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
2-[(5R)-3-cyclopropyl-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8825808
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
2-[3-cyclopropyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990676
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
2-[(5S)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7974349
2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715945
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 21368848
N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244395

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 8715980) is 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CC2)cc1.
What is the InChIKey of 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is AJZIERTYGUAIRH-ZPKJPUMHSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-29-19-12-8-17(9-13-19)25-23-26(18-10-11-18)22(28)20(30-23)14-21(27)24-16-6-4-15(2)5-7-16/h4-9,12-13,18,20H,3,10-11,14H2,1-2H3,(H,24,27)/b25-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).