(3-thiophen-2-ylisoquinolin-1-yl)hydrazine

C13H11N3S — CID 119085094

IUPAC(3-thiophen-2-ylisoquinolin-1-yl)hydrazine
SMILESNNc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H11N3S/c14-16-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-17-12/h1-8H,14H2,(H,15,16)
InChIKeyAAKZWJTUYFVHRY-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds2

About (3-thiophen-2-ylisoquinolin-1-yl)hydrazine

(3-thiophen-2-ylisoquinolin-1-yl)hydrazine (PubChem CID 119085094) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3-thiophen-2-ylisoquinolin-1-yl)hydrazine.

Molecular Properties

Compound Name(3-thiophen-2-ylisoquinolin-1-yl)hydrazine
PubChem CID119085094
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name(3-thiophen-2-ylisoquinolin-1-yl)hydrazine
SMILESNNc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H11N3S/c14-16-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-17-12/h1-8H,14H2,(H,15,16)
InChIKeyAAKZWJTUYFVHRY-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
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

3-thiophen-2-ylisoquinolin-1-amine
CID 24955965
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
(3-ethylisoquinolin-1-yl)hydrazine
CID 153410703
4-chloro-6-thiophen-2-ylpyridin-2-amine
CID 96614063
N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
CID 142987115
(5,6-dimethyl-2-thiophen-2-ylpyrimidin-4-yl)hydrazine
CID 62250157
[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine
CID 171037095
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
4-N-benzyl-6-thiophen-2-ylpyrimidine-2,4-diamine
CID 117079807
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 15133262
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-ylisoquinolin-1-yl)hydrazine?
The IUPAC name of (3-thiophen-2-ylisoquinolin-1-yl)hydrazine (CID 119085094) is (3-thiophen-2-ylisoquinolin-1-yl)hydrazine.
What is the SMILES notation for (3-thiophen-2-ylisoquinolin-1-yl)hydrazine?
The canonical SMILES for (3-thiophen-2-ylisoquinolin-1-yl)hydrazine is NNc1nc(-c2cccs2)cc2ccccc12.
What is the InChIKey of (3-thiophen-2-ylisoquinolin-1-yl)hydrazine?
The InChIKey is AAKZWJTUYFVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-16-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-17-12/h1-8H,14H2,(H,15,16).
What are the key properties of (3-thiophen-2-ylisoquinolin-1-yl)hydrazine?
(3-thiophen-2-ylisoquinolin-1-yl)hydrazine has a molecular weight of 241.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-ylisoquinolin-1-yl)hydrazine is sourced from PubChem (CID 119085094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).