[(4-bromothiophen-2-yl)methylideneamino]urea

C6H6BrN3OS — CID 759069

IUPAC[(4-bromothiophen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)cs1
InChIInChI=1S/C6H6BrN3OS/c7-4-1-5(12-3-4)2-9-10-6(8)11/h1-3H,(H3,8,10,11)
InChIKeyJZOFYYASDGJJAH-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.51
Rot. Bonds2

About [(4-bromothiophen-2-yl)methylideneamino]urea

[(4-bromothiophen-2-yl)methylideneamino]urea (PubChem CID 759069) has the molecular formula C6H6BrN3OS and a molecular weight of 248.11 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)methylideneamino]urea
PubChem CID759069
Molecular FormulaC6H6BrN3OS
Molecular Weight248.11 g/mol
Exact Mass246.94
IUPAC Name[(4-bromothiophen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)cs1
InChIInChI=1S/C6H6BrN3OS/c7-4-1-5(12-3-4)2-9-10-6(8)11/h1-3H,(H3,8,10,11)
InChIKeyJZOFYYASDGJJAH-UHFFFAOYSA-N
XLogP1.51
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4-bromothiophen-2-yl)methylideneamino]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 [(4-bromothiophen-2-yl)methylideneamino]urea?
The IUPAC name of [(4-bromothiophen-2-yl)methylideneamino]urea (CID 759069) is [(4-bromothiophen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(4-bromothiophen-2-yl)methylideneamino]urea?
The canonical SMILES for [(4-bromothiophen-2-yl)methylideneamino]urea is NC(=O)NN=Cc1cc(Br)cs1.
What is the InChIKey of [(4-bromothiophen-2-yl)methylideneamino]urea?
The InChIKey is JZOFYYASDGJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3OS/c7-4-1-5(12-3-4)2-9-10-6(8)11/h1-3H,(H3,8,10,11).
What are the key properties of [(4-bromothiophen-2-yl)methylideneamino]urea?
[(4-bromothiophen-2-yl)methylideneamino]urea has a molecular weight of 248.11 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)methylideneamino]urea is sourced from PubChem (CID 759069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).