2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C18H23N3O3S — CID 2892644

IUPAC2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)N(CN3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-5-7-14(8-6-13)19-16(22)11-15-17(23)21(18(24)25-15)12-20-9-3-2-4-10-20/h5-8,15H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyXDIJSWZKNYOEDF-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.83
Rot. Bonds5

About 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2892644) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID2892644
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)N(CN3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-5-7-14(8-6-13)19-16(22)11-15-17(23)21(18(24)25-15)12-20-9-3-2-4-10-20/h5-8,15H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyXDIJSWZKNYOEDF-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 7358070
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2146125
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
2-hydroxy-4-[[2-[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863717
ethyl 4-[[2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
CID 18807677
N-(4-methylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 6914760
2-[(5S)-2-(4-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 32522723
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 2892644) is 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2SC(=O)N(CN3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is XDIJSWZKNYOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-5-7-14(8-6-13)19-16(22)11-15-17(23)21(18(24)25-15)12-20-9-3-2-4-10-20/h5-8,15H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2892644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).