[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine

C14H16BrN3S — CID 105334802

IUPAC[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
SMILESCSc1ccc(C(Cc2cncc(Br)c2)NN)cc1
InChIInChI=1S/C14H16BrN3S/c1-19-13-4-2-11(3-5-13)14(18-16)7-10-6-12(15)9-17-8-10/h2-6,8-9,14,18H,7,16H2,1H3
InChIKeyPRQYRCCNBNULOZ-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.31
Rot. Bonds5

About [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine

[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine (PubChem CID 105334802) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
PubChem CID105334802
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
SMILESCSc1ccc(C(Cc2cncc(Br)c2)NN)cc1
InChIInChI=1S/C14H16BrN3S/c1-19-13-4-2-11(3-5-13)14(18-16)7-10-6-12(15)9-17-8-10/h2-6,8-9,14,18H,7,16H2,1H3
InChIKeyPRQYRCCNBNULOZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.31
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'}

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
[2-(4-bromophenyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105284436
[2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethyl]hydrazine
CID 105221823
[2-(5-bromo-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105334711
[1-(5-bromofuran-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334847
[1-(2-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334830
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105334826
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
[2-(5-bromo-3-pyridinyl)-1-(4,6-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 114269558
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine (CID 105334802) is [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine is CSc1ccc(C(Cc2cncc(Br)c2)NN)cc1.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The InChIKey is PRQYRCCNBNULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-19-13-4-2-11(3-5-13)14(18-16)7-10-6-12(15)9-17-8-10/h2-6,8-9,14,18H,7,16H2,1H3.
What are the key properties of [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine has a molecular weight of 338.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105334802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).