3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide

C13H14N2O3S — CID 3155768

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-2-4-10(5-3-9)14-11(16)6-7-15-12(17)8-19-13(15)18/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyNFHGESLQTFIHOL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.02
Rot. Bonds4

About 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 3155768) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID3155768
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-2-4-10(5-3-9)14-11(16)6-7-15-12(17)8-19-13(15)18/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyNFHGESLQTFIHOL-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.02
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 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide (CID 3155768) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is NFHGESLQTFIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-2-4-10(5-3-9)14-11(16)6-7-15-12(17)8-19-13(15)18/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 278.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 3155768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).