N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide

C16H18ClN3O3S — CID 135718712

About N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide

N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135718712) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 135718712
• Molecular Formula: C16H18ClN3O3S
• Molecular Weight: 367.86 g/mol
• Exact Mass: 367.08
• IUPAC Name: N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N/CC2CCCO2)NC1=O)Nc1ccccc1Cl
• InChI: InChI=1S/C16H18ClN3O3S/c17-11-5-1-2-6-12(11)19-14(21)8-13-15(22)20-16(24-13)18-9-10-4-3-7-23-10/h1-2,5-6,10,13H,3-4,7-9H2,(H,19,21)(H,18,20,22)
• InChIKey: KONTYCRNYKVDPV-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.86
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 135718712) is N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/CC2CCCO2)NC1=O)Nc1ccccc1Cl.

What is the InChIKey of N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is KONTYCRNYKVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-11-5-1-2-6-12(11)19-14(21)8-13-15(22)20-16(24-13)18-9-10-4-3-7-23-10/h1-2,5-6,10,13H,3-4,7-9H2,(H,19,21)(H,18,20,22).

What are the key properties of N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?

N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 367.86 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135718712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).