[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine

C13H15BrN2OS — CID 105318789

IUPAC[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2ccc(C)s2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8-3-6-12(18-8)13(16-15)9-4-5-11(17-2)10(14)7-9/h3-7,13,16H,15H2,1-2H3
InChIKeyKHDZUCRHFGUTPX-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.38
Rot. Bonds4

About [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105318789) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105318789
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2ccc(C)s2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8-3-6-12(18-8)13(16-15)9-4-5-11(17-2)10(14)7-9/h3-7,13,16H,15H2,1-2H3
InChIKeyKHDZUCRHFGUTPX-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.38
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 [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)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

2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-methylthiophene
CID 55199246
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
[(5-chlorothiophen-2-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258417
[(2-methoxy-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106793733
[(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516558
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905
[(3-bromo-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302505
[(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318815
[(3-bromo-4-methoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300768

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine (CID 105318789) is [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine is COc1ccc(C(NN)c2ccc(C)s2)cc1Br.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is KHDZUCRHFGUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8-3-6-12(18-8)13(16-15)9-4-5-11(17-2)10(14)7-9/h3-7,13,16H,15H2,1-2H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 327.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105318789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).