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

C12H11BrF2N2S — CID 105304993

IUPAC[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C12H11BrF2N2S/c1-6-4-10(18-12(6)13)11(17-16)7-2-3-8(14)9(15)5-7/h2-5,11,17H,16H2,1H3
InChIKeyIMQCXSTXKZBXBZ-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.65
Rot. Bonds3

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

[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine (PubChem CID 105304993) has the molecular formula C12H11BrF2N2S and a molecular weight of 333.20 g/mol. Its IUPAC name is [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
PubChem CID105304993
Molecular FormulaC12H11BrF2N2S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC Name[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C12H11BrF2N2S/c1-6-4-10(18-12(6)13)11(17-16)7-2-3-8(14)9(15)5-7/h2-5,11,17H,16H2,1H3
InChIKeyIMQCXSTXKZBXBZ-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.65
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

[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516730
[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105222042
[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 107562588
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488
[(5-bromothiophen-3-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305003
[1-benzothiophen-2-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130991
2-bromo-5-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-methylthiophene
CID 79996585
[(3,4-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105197212
N-[(5-bromo-4-methylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79976687
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208117
[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine (CID 105304993) is [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(F)c(F)c2)sc1Br.
What is the InChIKey of [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The InChIKey is IMQCXSTXKZBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2S/c1-6-4-10(18-12(6)13)11(17-16)7-2-3-8(14)9(15)5-7/h2-5,11,17H,16H2,1H3.
What are the key properties of [(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine?
[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine has a molecular weight of 333.20 g/mol, XLogP of 3.65, 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)-(3,4-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105304993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).