2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

C17H13N3O3S — CID 1353143

IUPAC2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccnc1
InChIInChI=1S/C17H13N3O3S/c21-15(19-13-7-4-8-18-10-13)11-20-16(22)14(24-17(20)23)9-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,21)/b14-9-
InChIKeyURJYJFPPSIXNQV-ZROIWOOFSA-N
MW339.38 g/mol
LogP2.76
Rot. Bonds4

About 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide (PubChem CID 1353143) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
PubChem CID1353143
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccnc1
InChIInChI=1S/C17H13N3O3S/c21-15(19-13-7-4-8-18-10-13)11-20-16(22)14(24-17(20)23)9-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,21)/b14-9-
InChIKeyURJYJFPPSIXNQV-ZROIWOOFSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
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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Related Compounds

2-[2,4-dioxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232148
N-(3,4-dimethylphenyl)-2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 126175781
2-[5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232158
2-[(5Z)-2,4-dioxo-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232145
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
CID 6201731
(5Z)-5-benzylidene-3-[(pyridin-3-ylamino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6114541
2-[(5E)-2,4-dioxo-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 124665751
N'-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
CID 1364305
3-[2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]propanoic acid
CID 5138717
N-(3-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126177326
2-[(5E)-5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 124654317

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide (CID 1353143) is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide is O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccnc1.
What is the InChIKey of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide?
The InChIKey is URJYJFPPSIXNQV-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15(19-13-7-4-8-18-10-13)11-20-16(22)14(24-17(20)23)9-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,21)/b14-9-.
What are the key properties of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide?
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide has a molecular weight of 339.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1353143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).