[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine

C12H19BrN2O2S — CID 105276955

IUPAC[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2sccc2Br)CCOCC1
InChIInChI=1S/C12H19BrN2O2S/c1-2-17-12(4-6-16-7-5-12)11(15-14)10-9(13)3-8-18-10/h3,8,11,15H,2,4-7,14H2,1H3
InChIKeyIXKZQJDRRSRBMU-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.60
Rot. Bonds5

About [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine (PubChem CID 105276955) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
PubChem CID105276955
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2sccc2Br)CCOCC1
InChIInChI=1S/C12H19BrN2O2S/c1-2-17-12(4-6-16-7-5-12)11(15-14)10-9(13)3-8-18-10/h3,8,11,15H,2,4-7,14H2,1H3
InChIKeyIXKZQJDRRSRBMU-UHFFFAOYSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.60
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

[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277390
[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276919
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799
[(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105277891
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine (CID 105276955) is [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine is CCOC1(C(NN)c2sccc2Br)CCOCC1.
What is the InChIKey of [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The InChIKey is IXKZQJDRRSRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-2-17-12(4-6-16-7-5-12)11(15-14)10-9(13)3-8-18-10/h3,8,11,15H,2,4-7,14H2,1H3.
What are the key properties of [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine has a molecular weight of 335.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105276955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).