[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine

C16H18BrN3S — CID 105238416

IUPAC[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCc2cccnc21
InChIInChI=1S/C16H18BrN3S/c17-12-4-1-5-13(9-12)21-10-15(20-18)14-7-6-11-3-2-8-19-16(11)14/h1-5,8-9,14-15,20H,6-7,10,18H2
InChIKeyQVIDWFQXHAWDFS-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.50
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine (PubChem CID 105238416) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
PubChem CID105238416
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCc2cccnc21
InChIInChI=1S/C16H18BrN3S/c17-12-4-1-5-13(9-12)21-10-15(20-18)14-7-6-11-3-2-8-19-16(11)14/h1-5,8-9,14-15,20H,6-7,10,18H2
InChIKeyQVIDWFQXHAWDFS-UHFFFAOYSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.50
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-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79740454
2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79739422
2-(3-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740250
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 79739728
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244815
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylpentyl]hydrazine
CID 105322059
[(3-bromo-5-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 107948367
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198346
[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222545
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyridazin-4-yl)methyl]hydrazine
CID 105322052
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-iodophenyl)methyl]hydrazine
CID 105321973

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine (CID 105238416) is [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine is NNC(CSc1cccc(Br)c1)C1CCc2cccnc21.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine?
The InChIKey is QVIDWFQXHAWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c17-12-4-1-5-13(9-12)21-10-15(20-18)14-7-6-11-3-2-8-19-16(11)14/h1-5,8-9,14-15,20H,6-7,10,18H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine has a molecular weight of 364.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine is sourced from PubChem (CID 105238416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).