[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine

C15H19N3S — CID 105255789

IUPAC[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
SMILESNNC(c1cncc2ccccc12)C1CCCCS1
InChIInChI=1S/C15H19N3S/c16-18-15(14-7-3-4-8-19-14)13-10-17-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,14-15,18H,3-4,7-8,16H2
InChIKeyRULXUYOWRDAKCU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.02
Rot. Bonds3

About [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine

[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine (PubChem CID 105255789) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
PubChem CID105255789
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
SMILESNNC(c1cncc2ccccc12)C1CCCCS1
InChIInChI=1S/C15H19N3S/c16-18-15(14-7-3-4-8-19-14)13-10-17-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,14-15,18H,3-4,7-8,16H2
InChIKeyRULXUYOWRDAKCU-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.02
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-isoquinolin-4-yl-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621787
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
[isoquinolin-4-yl-(2-methylcyclopropyl)methyl]hydrazine
CID 105234888
[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105306448
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710391
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103345994
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine (CID 105255789) is [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine is NNC(c1cncc2ccccc12)C1CCCCS1.
What is the InChIKey of [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine?
The InChIKey is RULXUYOWRDAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-18-15(14-7-3-4-8-19-14)13-10-17-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,14-15,18H,3-4,7-8,16H2.
What are the key properties of [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine?
[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine has a molecular weight of 273.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-4-yl(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).