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

C15H14N2O4S — CID 155537071

IUPAC2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C15H14N2O4S/c1-2-8-21-16-13(18)10-17-14(19)12(22-15(17)20)9-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,18)/b12-9-
InChIKeyPYNUTFLGXBJOMQ-XFXZXTDPSA-N
MW318.35 g/mol
LogP1.96
Rot. Bonds6

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

2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide (PubChem CID 155537071) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
PubChem CID155537071
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C15H14N2O4S/c1-2-8-21-16-13(18)10-17-14(19)12(22-15(17)20)9-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,18)/b12-9-
InChIKeyPYNUTFLGXBJOMQ-XFXZXTDPSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 164623461
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 7368541
methyl 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 2174753
N-(2-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126236033
2-[5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232158
N'-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
CID 1364305
2-[2,4-dioxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232148
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
CID 1353143
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
3-phenacyl-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4005889
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylacetamide
CID 3422835
7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide
CID 171478398

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide (CID 155537071) is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide.
What is the SMILES notation for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The canonical SMILES for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide is C=CCONC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O.
What is the InChIKey of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The InChIKey is PYNUTFLGXBJOMQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-2-8-21-16-13(18)10-17-14(19)12(22-15(17)20)9-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,18)/b12-9-.
What are the key properties of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide has a molecular weight of 318.35 g/mol, XLogP of 1.96, 6 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-prop-2-enoxyacetamide is sourced from PubChem (CID 155537071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).