2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

C15H18N2O3S — CID 3155762

IUPAC2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-3-8-17-14(19)12(21-15(17)20)9-13(18)16-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyQASNAFUDTKQERE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.80
Rot. Bonds5

About 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 3155762) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID3155762
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-3-8-17-14(19)12(21-15(17)20)9-13(18)16-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyQASNAFUDTKQERE-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (CID 3155762) is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is CCCN1C(=O)SC(CC(=O)Nc2ccc(C)cc2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is QASNAFUDTKQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-8-17-14(19)12(21-15(17)20)9-13(18)16-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3155762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).