[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine

C13H13BrN2OS — CID 105222676

IUPAC[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)cs1)c1cccc2c1OCC2
InChIInChI=1S/C13H13BrN2OS/c14-9-6-11(18-7-9)12(16-15)10-3-1-2-8-4-5-17-13(8)10/h1-3,6-7,12,16H,4-5,15H2
InChIKeyPHPVHCAJHDOTRB-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.00
Rot. Bonds3

About [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine

[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine (PubChem CID 105222676) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
PubChem CID105222676
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)cs1)c1cccc2c1OCC2
InChIInChI=1S/C13H13BrN2OS/c14-9-6-11(18-7-9)12(16-15)10-3-1-2-8-4-5-17-13(8)10/h1-3,6-7,12,16H,4-5,15H2
InChIKeyPHPVHCAJHDOTRB-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.00
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

[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658
[(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105238803
[(4-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105281085
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341826
[2,3-dihydro-1-benzofuran-7-yl(furan-3-yl)methyl]hydrazine
CID 105221476
[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]hydrazine
CID 105196662
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 107948543
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
[2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204228

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine (CID 105222676) is [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine is NNC(c1cc(Br)cs1)c1cccc2c1OCC2.
What is the InChIKey of [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The InChIKey is PHPVHCAJHDOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-9-6-11(18-7-9)12(16-15)10-3-1-2-8-4-5-17-13(8)10/h1-3,6-7,12,16H,4-5,15H2.
What are the key properties of [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine has a molecular weight of 325.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine is sourced from PubChem (CID 105222676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).