2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide

C16H21N3O2S — CID 135439868

IUPAC2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
SMILESCCC/N=C1\NC(=O)C(CC(=O)NCCc2ccccc2)S1
InChIInChI=1S/C16H21N3O2S/c1-2-9-18-16-19-15(21)13(22-16)11-14(20)17-10-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyHLVLDMRUUBYDRM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide

2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide (PubChem CID 135439868) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
PubChem CID135439868
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
SMILESCCC/N=C1\NC(=O)C(CC(=O)NCCc2ccccc2)S1
InChIInChI=1S/C16H21N3O2S/c1-2-9-18-16-19-15(21)13(22-16)11-14(20)17-10-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyHLVLDMRUUBYDRM-UHFFFAOYSA-N
XLogP1.73
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.73
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-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide (CID 135439868) is 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide is CCC/N=C1\NC(=O)C(CC(=O)NCCc2ccccc2)S1.
What is the InChIKey of 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is HLVLDMRUUBYDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-9-18-16-19-15(21)13(22-16)11-14(20)17-10-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide?
2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 135439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).