2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H14N4O4S — CID 6237681

IUPAC2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1
InChIInChI=1S/C16H14N4O4S/c1-24-11-4-2-10(3-5-11)8-12-14(22)20(16(23)18-12)9-13(21)19-15-17-6-7-25-15/h2-8H,9H2,1H3,(H,18,23)(H,17,19,21)/b12-8-
InChIKeyRAPVMCXLMQGNBE-WQLSENKSSA-N
MW358.38 g/mol
LogP1.68
Rot. Bonds5

About 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6237681) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6237681
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1
InChIInChI=1S/C16H14N4O4S/c1-24-11-4-2-10(3-5-11)8-12-14(22)20(16(23)18-12)9-13(21)19-15-17-6-7-25-15/h2-8H,9H2,1H3,(H,18,23)(H,17,19,21)/b12-8-
InChIKeyRAPVMCXLMQGNBE-WQLSENKSSA-N
XLogP1.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 6237681) is 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RAPVMCXLMQGNBE-WQLSENKSSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-24-11-4-2-10(3-5-11)8-12-14(22)20(16(23)18-12)9-13(21)19-15-17-6-7-25-15/h2-8H,9H2,1H3,(H,18,23)(H,17,19,21)/b12-8-.
What are the key properties of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 358.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6237681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).