[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine

C13H12N4S — CID 105292167

IUPAC[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)c1csc2ccccc12
InChIInChI=1S/C13H12N4S/c14-17-13(9-5-15-8-16-6-9)11-7-18-12-4-2-1-3-10(11)12/h1-8,13,17H,14H2
InChIKeyAEJDNQXVSMCEAX-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.24
Rot. Bonds3

About [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine

[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine (PubChem CID 105292167) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
PubChem CID105292167
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)c1csc2ccccc12
InChIInChI=1S/C13H12N4S/c14-17-13(9-5-15-8-16-6-9)11-7-18-12-4-2-1-3-10(11)12/h1-8,13,17H,14H2
InChIKeyAEJDNQXVSMCEAX-UHFFFAOYSA-N
XLogP2.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzothiophen-3-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305524
[1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325318
[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303991
[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308265
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650251
[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337177
[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765556
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine (CID 105292167) is [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine is NNC(c1cncnc1)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine?
The InChIKey is AEJDNQXVSMCEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-17-13(9-5-15-8-16-6-9)11-7-18-12-4-2-1-3-10(11)12/h1-8,13,17H,14H2.
What are the key properties of [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine?
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine has a molecular weight of 256.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine is sourced from PubChem (CID 105292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).