(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine

C15H16BrN3S — CID 5347702

IUPAC(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b17-12+
InChIKeyJVYSQNTYDVXITI-SFQUDFHCSA-N
MW350.29 g/mol
LogP3.67
Rot. Bonds3

About (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine

(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 5347702) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID5347702
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b17-12+
InChIKeyJVYSQNTYDVXITI-SFQUDFHCSA-N
XLogP3.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine 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 (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 5347702) is (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine is Brc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is JVYSQNTYDVXITI-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b17-12+.
What are the key properties of (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 350.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).