(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

C13H10N2O4S — CID 18809133

IUPAC(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESCC(=O)c1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C13H10N2O4S/c1-7(16)8-2-4-9(5-3-8)14-11(17)6-10-12(18)15-13(19)20-10/h2-6H,1H3,(H,14,17)(H,15,18,19)/b10-6-
InChIKeyCBGWHPXGMAHDJR-POHAHGRESA-N
MW290.30 g/mol
LogP1.69
Rot. Bonds3

About (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 18809133) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID18809133
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESCC(=O)c1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C13H10N2O4S/c1-7(16)8-2-4-9(5-3-8)14-11(17)6-10-12(18)15-13(19)20-10/h2-6H,1H3,(H,14,17)(H,15,18,19)/b10-6-
InChIKeyCBGWHPXGMAHDJR-POHAHGRESA-N
XLogP1.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (CID 18809133) is (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is CC(=O)c1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is CBGWHPXGMAHDJR-POHAHGRESA-N. The full InChI is InChI=1S/C13H10N2O4S/c1-7(16)8-2-4-9(5-3-8)14-11(17)6-10-12(18)15-13(19)20-10/h2-6H,1H3,(H,14,17)(H,15,18,19)/b10-6-.
What are the key properties of (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 18809133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).