[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine

C14H13N3S — CID 105220571

IUPAC[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H13N3S/c15-17-14(12-6-3-9-18-12)13-11-5-2-1-4-10(11)7-8-16-13/h1-9,14,17H,15H2
InChIKeyBKFQUHIIDRZNOC-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.85
Rot. Bonds3

About [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine

[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine (PubChem CID 105220571) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
PubChem CID105220571
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H13N3S/c15-17-14(12-6-3-9-18-12)13-11-5-2-1-4-10(11)7-8-16-13/h1-9,14,17H,15H2
InChIKeyBKFQUHIIDRZNOC-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.85
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

[isoquinolin-1-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140117
[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220642
[quinolin-2-yl(thiophen-2-yl)methyl]hydrazine
CID 105218654
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265
N-[(3-chlorothiophen-2-yl)-isoquinolin-1-ylmethyl]ethanamine
CID 107359738
N-[furan-2-yl(isoquinolin-1-yl)methyl]ethanamine
CID 63950200
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine (CID 105220571) is [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine is NNC(c1cccs1)c1nccc2ccccc12.
What is the InChIKey of [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine?
The InChIKey is BKFQUHIIDRZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-17-14(12-6-3-9-18-12)13-11-5-2-1-4-10(11)7-8-16-13/h1-9,14,17H,15H2.
What are the key properties of [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine?
[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine has a molecular weight of 255.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105220571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).