[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine

C13H13BrF2N2S — CID 107516730

IUPAC[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C)c(F)c2F)sc1Br
InChIInChI=1S/C13H13BrF2N2S/c1-6-3-4-8(11(16)10(6)15)12(18-17)9-5-7(2)13(14)19-9/h3-5,12,18H,17H2,1-2H3
InChIKeyNXSAHKNMJIXGCS-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.96
Rot. Bonds3

About [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine

[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine (PubChem CID 107516730) has the molecular formula C13H13BrF2N2S and a molecular weight of 347.23 g/mol. Its IUPAC name is [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
PubChem CID107516730
Molecular FormulaC13H13BrF2N2S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C)c(F)c2F)sc1Br
InChIInChI=1S/C13H13BrF2N2S/c1-6-3-4-8(11(16)10(6)15)12(18-17)9-5-7(2)13(14)19-9/h3-5,12,18H,17H2,1-2H3
InChIKeyNXSAHKNMJIXGCS-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107970741
[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304993
1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326977
[(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334423
[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302870
[(2,3-difluoro-4-methylphenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107516449
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
[(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516558
N-[(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79991219
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine (CID 107516730) is [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(C)c(F)c2F)sc1Br.
What is the InChIKey of [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The InChIKey is NXSAHKNMJIXGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2S/c1-6-3-4-8(11(16)10(6)15)12(18-17)9-5-7(2)13(14)19-9/h3-5,12,18H,17H2,1-2H3.
What are the key properties of [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine has a molecular weight of 347.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 107516730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).