[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine

C15H18BrN3OS — CID 105235964

IUPAC[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
SMILESCCOc1cncc(C(CSc2ccc(Br)cc2)NN)c1
InChIInChI=1S/C15H18BrN3OS/c1-2-20-13-7-11(8-18-9-13)15(19-17)10-21-14-5-3-12(16)4-6-14/h3-9,15,19H,2,10,17H2,1H3
InChIKeyGBXCMTDKAXKADH-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.54
Rot. Bonds7

About [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine

[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine (PubChem CID 105235964) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
PubChem CID105235964
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
SMILESCCOc1cncc(C(CSc2ccc(Br)cc2)NN)c1
InChIInChI=1S/C15H18BrN3OS/c1-2-20-13-7-11(8-18-9-13)15(19-17)10-21-14-5-3-12(16)4-6-14/h3-9,15,19H,2,10,17H2,1H3
InChIKeyGBXCMTDKAXKADH-UHFFFAOYSA-N
XLogP3.54
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-bromophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105235869
[2-(3-chlorophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105237899
[1-(5-ethoxy-3-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105329994
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105235895
[2-(4-bromophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105195635
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105264388
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
[2-cyclohexylsulfanyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105227942
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine (CID 105235964) is [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine is CCOc1cncc(C(CSc2ccc(Br)cc2)NN)c1.
What is the InChIKey of [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The InChIKey is GBXCMTDKAXKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-2-20-13-7-11(8-18-9-13)15(19-17)10-21-14-5-3-12(16)4-6-14/h3-9,15,19H,2,10,17H2,1H3.
What are the key properties of [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine has a molecular weight of 368.30 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105235964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).