1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one

C10H12N4O3S — CID 71373315

IUPAC1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one
SMILESCCN1CCN(N=Cc2ccc([N+](=O)[O-])s2)C1=O
InChIInChI=1S/C10H12N4O3S/c1-2-12-5-6-13(10(12)15)11-7-8-3-4-9(18-8)14(16)17/h3-4,7H,2,5-6H2,1H3
InChIKeyYCSUXCUFLWCCPH-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.75
Rot. Bonds4

About 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one

1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one (PubChem CID 71373315) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one
PubChem CID71373315
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one
SMILESCCN1CCN(N=Cc2ccc([N+](=O)[O-])s2)C1=O
InChIInChI=1S/C10H12N4O3S/c1-2-12-5-6-13(10(12)15)11-7-8-3-4-9(18-8)14(16)17/h3-4,7H,2,5-6H2,1H3
InChIKeyYCSUXCUFLWCCPH-UHFFFAOYSA-N
XLogP1.75
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one (CID 71373315) is 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one is CCN1CCN(N=Cc2ccc([N+](=O)[O-])s2)C1=O.
What is the InChIKey of 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one?
The InChIKey is YCSUXCUFLWCCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-2-12-5-6-13(10(12)15)11-7-8-3-4-9(18-8)14(16)17/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one?
1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one has a molecular weight of 268.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-nitrothiophen-2-yl)methylideneamino]imidazolidin-2-one is sourced from PubChem (CID 71373315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).