[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine

C13H14N4S — CID 105308265

IUPAC[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)c1csc2ccccc12
InChIInChI=1S/C13H14N4S/c1-17-7-6-15-13(17)12(16-14)10-8-18-11-5-3-2-4-9(10)11/h2-8,12,16H,14H2,1H3
InChIKeyITNQIKISNMUYTF-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.19
Rot. Bonds3

About [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine

[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine (PubChem CID 105308265) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
PubChem CID105308265
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)c1csc2ccccc12
InChIInChI=1S/C13H14N4S/c1-17-7-6-15-13(17)12(16-14)10-8-18-11-5-3-2-4-9(10)11/h2-8,12,16H,14H2,1H3
InChIKeyITNQIKISNMUYTF-UHFFFAOYSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.19
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

bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[1-benzothiophen-3-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305524
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251798
[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307010
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167
[(1-methylimidazol-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203671
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
[(1-methylimidazol-2-yl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261853
[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337177

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine (CID 105308265) is [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine is Cn1ccnc1C(NN)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The InChIKey is ITNQIKISNMUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-17-7-6-15-13(17)12(16-14)10-8-18-11-5-3-2-4-9(10)11/h2-8,12,16H,14H2,1H3.
What are the key properties of [1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine has a molecular weight of 258.35 g/mol, XLogP of 2.19, 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-(1-methylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105308265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).