[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine

C13H15N3OS — CID 63648050

IUPAC[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCSc1ccc(OCc2ccc(NN)nc2)cc1
InChIInChI=1S/C13H15N3OS/c1-18-12-5-3-11(4-6-12)17-9-10-2-7-13(16-14)15-8-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyFGEVCBOUBCPWEO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds5

About [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine

[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 63648050) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID63648050
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCSc1ccc(OCc2ccc(NN)nc2)cc1
InChIInChI=1S/C13H15N3OS/c1-18-12-5-3-11(4-6-12)17-9-10-2-7-13(16-14)15-8-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyFGEVCBOUBCPWEO-UHFFFAOYSA-N
XLogP2.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
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

[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061930
4-[(6-hydrazinyl-3-pyridinyl)methoxy]benzamide
CID 62244712
[5-[(4-methylphenyl)methoxy]-2-pyridinyl]hydrazine
CID 135394683
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
[5-(butoxymethyl)-2-pyridinyl]hydrazine
CID 62245667
[5-[(3-bromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246032
[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
CID 55051241
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
N-ethyl-5-[(4-ethylphenoxy)methyl]pyridin-2-amine
CID 55044783
[5-(2-methylpropoxymethyl)-2-pyridinyl]hydrazine
CID 62245064
[5-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 64855843

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 63648050) is [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine is CSc1ccc(OCc2ccc(NN)nc2)cc1.
What is the InChIKey of [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is FGEVCBOUBCPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-18-12-5-3-11(4-6-12)17-9-10-2-7-13(16-14)15-8-10/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine?
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 261.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 63648050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).