[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine

C17H17BrN2S — CID 105214923

IUPAC[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccccc1Br)Cc1csc2ccccc12
InChIInChI=1S/C17H17BrN2S/c18-16-7-3-1-5-12(16)9-14(20-19)10-13-11-21-17-8-4-2-6-15(13)17/h1-8,11,14,20H,9-10,19H2
InChIKeyNVARPSYRAVDAKZ-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.28
Rot. Bonds5

About [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine

[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine (PubChem CID 105214923) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
PubChem CID105214923
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC Name[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccccc1Br)Cc1csc2ccccc12
InChIInChI=1S/C17H17BrN2S/c18-16-7-3-1-5-12(16)9-14(20-19)10-13-11-21-17-8-4-2-6-15(13)17/h1-8,11,14,20H,9-10,19H2
InChIKeyNVARPSYRAVDAKZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.28
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

1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
CID 63736722
[2-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
CID 105291718
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine (CID 105214923) is [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine is NNC(Cc1ccccc1Br)Cc1csc2ccccc12.
What is the InChIKey of [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine?
The InChIKey is NVARPSYRAVDAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c18-16-7-3-1-5-12(16)9-14(20-19)10-13-11-21-17-8-4-2-6-15(13)17/h1-8,11,14,20H,9-10,19H2.
What are the key properties of [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine?
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine has a molecular weight of 361.31 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105214923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).