[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine

C16H20BrN3S — CID 105238322

IUPAC[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(CSc2cccc(Br)c2)NN)nc1
InChIInChI=1S/C16H20BrN3S/c1-2-12-6-7-14(19-10-12)9-15(20-18)11-21-16-5-3-4-13(17)8-16/h3-8,10,15,20H,2,9,11,18H2,1H3
InChIKeyHUULBOBAVMTYEM-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.57
Rot. Bonds7

About [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine

[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine (PubChem CID 105238322) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
PubChem CID105238322
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(CSc2cccc(Br)c2)NN)nc1
InChIInChI=1S/C16H20BrN3S/c1-2-12-6-7-14(19-10-12)9-15(20-18)11-21-16-5-3-4-13(17)8-16/h3-8,10,15,20H,2,9,11,18H2,1H3
InChIKeyHUULBOBAVMTYEM-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.57
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

[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
[1-(5-ethyl-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105324467
4-bromo-2-[2-(5-ethyl-2-pyridinyl)-1-hydrazinylethyl]aniline
CID 105263426
[1-(3-bromophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)propan-2-yl]hydrazine
CID 105238384
[1-(3,5-dimethylphenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105212613
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
[1-(5-ethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212070
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine (CID 105238322) is [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine is CCc1ccc(CC(CSc2cccc(Br)c2)NN)nc1.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine?
The InChIKey is HUULBOBAVMTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-2-12-6-7-14(19-10-12)9-15(20-18)11-21-16-5-3-4-13(17)8-16/h3-8,10,15,20H,2,9,11,18H2,1H3.
What are the key properties of [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine has a molecular weight of 366.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105238322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).