[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine

C12H19ClN2O2S — CID 105276892

IUPAC[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C12H19ClN2O2S/c1-2-17-12(5-7-16-8-6-12)11(15-14)9-3-4-10(13)18-9/h3-4,11,15H,2,5-8,14H2,1H3
InChIKeyVWNWCUBEHKJPKU-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.49
Rot. Bonds5

About [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine

[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine (PubChem CID 105276892) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
PubChem CID105276892
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C12H19ClN2O2S/c1-2-17-12(5-7-16-8-6-12)11(15-14)9-3-4-10(13)18-9/h3-4,11,15H,2,5-8,14H2,1H3
InChIKeyVWNWCUBEHKJPKU-UHFFFAOYSA-N
XLogP2.49
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.49
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

[(5-chlorothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277901
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine
CID 105217638
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
CID 116753583
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
[(5-chlorothiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105328233
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799

Frequently Asked Questions

What is the IUPAC name of [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The IUPAC name of [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine (CID 105276892) is [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine is CCOC1(C(NN)c2ccc(Cl)s2)CCOCC1.
What is the InChIKey of [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The InChIKey is VWNWCUBEHKJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-2-17-12(5-7-16-8-6-12)11(15-14)9-3-4-10(13)18-9/h3-4,11,15H,2,5-8,14H2,1H3.
What are the key properties of [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine?
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine has a molecular weight of 290.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105276892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).