methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate

C11H10N2O4S — CID 4045724

IUPACmethyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)NC(=Cc2cccs2)C1=O
InChIInChI=1S/C11H10N2O4S/c1-17-9(14)6-13-10(15)8(12-11(13)16)5-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,16)
InChIKeyBZTJZDJTBRXAAE-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate

methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate (PubChem CID 4045724) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
PubChem CID4045724
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)NC(=Cc2cccs2)C1=O
InChIInChI=1S/C11H10N2O4S/c1-17-9(14)6-13-10(15)8(12-11(13)16)5-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,16)
InChIKeyBZTJZDJTBRXAAE-UHFFFAOYSA-N
XLogP0.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 78414890
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
methyl 2-[2,5-dioxo-4-[(2-phenylsulfanylphenyl)methylidene]imidazolidin-1-yl]acetate
CID 3953476
methyl 2-[(4E)-4-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6045873
methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490231
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
methyl 2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3641214
methyl 2-[(4E)-4-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490236
methyl 2-[4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3292515
methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
CID 43153893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate (CID 4045724) is methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate is COC(=O)CN1C(=O)NC(=Cc2cccs2)C1=O.
What is the InChIKey of methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The InChIKey is BZTJZDJTBRXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-17-9(14)6-13-10(15)8(12-11(13)16)5-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,16).
What are the key properties of methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate has a molecular weight of 266.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate is sourced from PubChem (CID 4045724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).