2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide

C15H19N3O4S — CID 135691436

IUPAC2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S1
InChIInChI=1S/C15H19N3O4S/c1-21-7-6-16-15-18-14(20)12(23-15)9-13(19)17-10-4-3-5-11(8-10)22-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyWMYOUFRZRIAIEI-LBPRGKRZSA-N
MW337.40 g/mol
LogP1.26
Rot. Bonds7

About 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide

2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 135691436) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID135691436
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S1
InChIInChI=1S/C15H19N3O4S/c1-21-7-6-16-15-18-14(20)12(23-15)9-13(19)17-10-4-3-5-11(8-10)22-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyWMYOUFRZRIAIEI-LBPRGKRZSA-N
XLogP1.26
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135705020
2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135725400
N-(4-bromophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691443
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704975
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 135704805
2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704934
2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135463838
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704933
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (CID 135691436) is 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is COCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S1.
What is the InChIKey of 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is WMYOUFRZRIAIEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-21-7-6-16-15-18-14(20)12(23-15)9-13(19)17-10-4-3-5-11(8-10)22-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1.
What are the key properties of 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 135691436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).