5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione

C10H9ClN2O2S — CID 961932

IUPAC5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C10H9ClN2O2S/c1-2-13-9(14)7(12-10(13)15)5-6-3-4-8(11)16-6/h3-5H,2H2,1H3,(H,12,15)
InChIKeyKXKSJWNSTRTXJH-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.31
Rot. Bonds2

About 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione

5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 961932) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID961932
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C10H9ClN2O2S/c1-2-13-9(14)7(12-10(13)15)5-6-3-4-8(11)16-6/h3-5H,2H2,1H3,(H,12,15)
InChIKeyKXKSJWNSTRTXJH-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697118
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1813162
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949901
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6020297
N-[(5-chloro-2-thienyl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide
CID 29220105
1-[2-[(5-Chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 39748232
1-[2-[1-(5-Chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one
CID 75504698
3-Ethyl-5-[(5-methyl-2-thiophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
CID 750938
(5E)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2585706
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697116

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione (CID 961932) is 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)NC(=Cc2ccc(Cl)s2)C1=O.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is KXKSJWNSTRTXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-2-13-9(14)7(12-10(13)15)5-6-3-4-8(11)16-6/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 256.71 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 961932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).