(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea

C10H12N4O2S — CID 135839423

IUPAC(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
SMILESCCN1CC(=O)N/C1=N/C(=O)Nc1cccs1
InChIInChI=1S/C10H12N4O2S/c1-2-14-6-7(15)11-9(14)13-10(16)12-8-4-3-5-17-8/h3-5H,2,6H2,1H3,(H2,11,12,13,15,16)
InChIKeyIGDVEGBHFIUMMO-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.09
Rot. Bonds2

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

(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea (PubChem CID 135839423) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
PubChem CID135839423
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea
SMILESCCN1CC(=O)N/C1=N/C(=O)Nc1cccs1
InChIInChI=1S/C10H12N4O2S/c1-2-14-6-7(15)11-9(14)13-10(16)12-8-4-3-5-17-8/h3-5H,2,6H2,1H3,(H2,11,12,13,15,16)
InChIKeyIGDVEGBHFIUMMO-UHFFFAOYSA-N
XLogP1.09
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.09
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 (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The IUPAC name of (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea (CID 135839423) is (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea.
What is the SMILES notation for (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The canonical SMILES for (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea is CCN1CC(=O)N/C1=N/C(=O)Nc1cccs1.
What is the InChIKey of (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
The InChIKey is IGDVEGBHFIUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-14-6-7(15)11-9(14)13-10(16)12-8-4-3-5-17-8/h3-5H,2,6H2,1H3,(H2,11,12,13,15,16).
What are the key properties of (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea?
(1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea has a molecular weight of 252.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-ethyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-2-ylurea is sourced from PubChem (CID 135839423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).