[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine

C12H12BrFN2OS — CID 105322605

IUPAC[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cscc2Br)ccc1F
InChIInChI=1S/C12H12BrFN2OS/c1-17-11-4-7(2-3-10(11)14)12(16-15)8-5-18-6-9(8)13/h2-6,12,16H,15H2,1H3
InChIKeyWGHDTBLIPPPJPM-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.21
Rot. Bonds4

About [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine (PubChem CID 105322605) has the molecular formula C12H12BrFN2OS and a molecular weight of 331.21 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
PubChem CID105322605
Molecular FormulaC12H12BrFN2OS
Molecular Weight331.21 g/mol
Exact Mass329.98
IUPAC Name[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cscc2Br)ccc1F
InChIInChI=1S/C12H12BrFN2OS/c1-17-11-4-7(2-3-10(11)14)12(16-15)8-5-18-6-9(8)13/h2-6,12,16H,15H2,1H3
InChIKeyWGHDTBLIPPPJPM-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[(4-bromo-3-fluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105322671
[(4-fluoro-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291538
[(4-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105305835
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905
[(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105328437
N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105010666
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(4-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192213
N-[(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methyl]ethanamine
CID 82810486
[(3-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106649927
1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 105010857

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine (CID 105322605) is [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine is COc1cc(C(NN)c2cscc2Br)ccc1F.
What is the InChIKey of [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine?
The InChIKey is WGHDTBLIPPPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2OS/c1-17-11-4-7(2-3-10(11)14)12(16-15)8-5-18-6-9(8)13/h2-6,12,16H,15H2,1H3.
What are the key properties of [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine has a molecular weight of 331.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105322605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).