1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea

C9H10N4O2S — CID 135999413

IUPAC1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
SMILESCN1CC(=O)NC1=NC(=O)Nc1cccs1
InChIInChI=1S/C9H10N4O2S/c1-13-5-6(14)10-8(13)12-9(15)11-7-3-2-4-16-7/h2-4H,5H2,1H3,(H2,10,11,12,14,15)
InChIKeyCJVARLRPLSTDEB-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.70
Rot. Bonds1

About 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea

1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea (PubChem CID 135999413) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
PubChem CID135999413
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
SMILESCN1CC(=O)NC1=NC(=O)Nc1cccs1
InChIInChI=1S/C9H10N4O2S/c1-13-5-6(14)10-8(13)12-9(15)11-7-3-2-4-16-7/h2-4H,5H2,1H3,(H2,10,11,12,14,15)
InChIKeyCJVARLRPLSTDEB-UHFFFAOYSA-N
XLogP0.70
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea (CID 135999413) is 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea is CN1CC(=O)NC1=NC(=O)Nc1cccs1.
What is the InChIKey of 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The InChIKey is CJVARLRPLSTDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-5-6(14)10-8(13)12-9(15)11-7-3-2-4-16-7/h2-4H,5H2,1H3,(H2,10,11,12,14,15).
What are the key properties of 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea has a molecular weight of 238.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea is sourced from PubChem (CID 135999413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).