[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine

C16H16N2S — CID 105285358

IUPAC[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2S/c1-11-6-8-12(9-7-11)16(18-17)15-10-13-4-2-3-5-14(13)19-15/h2-10,16,18H,17H2,1H3
InChIKeyOMTMSTVTWRPXDJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.76
Rot. Bonds3

About [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine

[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine (PubChem CID 105285358) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
PubChem CID105285358
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2S/c1-11-6-8-12(9-7-11)16(18-17)15-10-13-4-2-3-5-14(13)19-15/h2-10,16,18H,17H2,1H3
InChIKeyOMTMSTVTWRPXDJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(6-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285355
[1-benzothiophen-2-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130991
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
[1-benzothiophen-2-yl-(2-methylphenyl)methyl]hydrazine
CID 105286041
[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312893
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
[1-benzothiophen-2-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306988
1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023280
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130130

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine (CID 105285358) is [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cc3ccccc3s2)cc1.
What is the InChIKey of [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine?
The InChIKey is OMTMSTVTWRPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-6-8-12(9-7-11)16(18-17)15-10-13-4-2-3-5-14(13)19-15/h2-10,16,18H,17H2,1H3.
What are the key properties of [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine?
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine has a molecular weight of 268.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105285358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).