2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

C18H17N3O2S — CID 135407473

IUPAC2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1S/C(=N/Cc2ccccc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2S/c22-16(20-14-9-5-2-6-10-14)11-15-17(23)21-18(24-15)19-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,22)(H,19,21,23)
InChIKeyQLXMQPBTQKBZRH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 135407473) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID135407473
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1S/C(=N/Cc2ccccc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2S/c22-16(20-14-9-5-2-6-10-14)11-15-17(23)21-18(24-15)19-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,22)(H,19,21,23)
InChIKeyQLXMQPBTQKBZRH-UHFFFAOYSA-N
XLogP2.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 135407473) is 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is O=C(CC1S/C(=N/Cc2ccccc2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is QLXMQPBTQKBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(20-14-9-5-2-6-10-14)11-15-17(23)21-18(24-15)19-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,22)(H,19,21,23).
What are the key properties of 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 135407473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).