(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

C9H9ClN4O2S — CID 135624482

IUPAC(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCN1CC(=O)N/C1=N\C(=O)Nc1csc(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,15,16)
InChIKeyWZGJKONTYDNKIU-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.35
Rot. Bonds1

About (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (PubChem CID 135624482) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.

Molecular Properties

Compound Name(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
PubChem CID135624482
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCN1CC(=O)N/C1=N\C(=O)Nc1csc(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,15,16)
InChIKeyWZGJKONTYDNKIU-UHFFFAOYSA-N
XLogP1.35
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The IUPAC name of (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (CID 135624482) is (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.
What is the SMILES notation for (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The canonical SMILES for (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is CN1CC(=O)N/C1=N\C(=O)Nc1csc(Cl)c1.
What is the InChIKey of (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The InChIKey is WZGJKONTYDNKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,15,16).
What are the key properties of (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
(3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea has a molecular weight of 272.72 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(5-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is sourced from PubChem (CID 135624482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).