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

C18H17N3O3S — CID 3157512

IUPAC2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccccc2OC)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-24-14-10-6-5-9-13(14)20-16(22)11-15-17(23)21(18(19)25-15)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3,(H,20,22)/b19-18-
InChIKeyAIJBZUXIMLIBJA-HNENSFHCSA-N
MW355.42 g/mol
LogP3.11
Rot. Bonds5

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

2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 3157512) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID3157512
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccccc2OC)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-24-14-10-6-5-9-13(14)20-16(22)11-15-17(23)21(18(19)25-15)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3,(H,20,22)/b19-18-
InChIKeyAIJBZUXIMLIBJA-HNENSFHCSA-N
XLogP3.11
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide (CID 3157512) is 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide is [H]/N=C1\SC(CC(=O)Nc2ccccc2OC)C(=O)N1c1ccccc1.
What is the InChIKey of 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is AIJBZUXIMLIBJA-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-14-10-6-5-9-13(14)20-16(22)11-15-17(23)21(18(19)25-15)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3,(H,20,22)/b19-18-.
What are the key properties of 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide?
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3157512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).