N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide

C13H14N2O2S — CID 20763518

IUPACN-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C13H14N2O2S/c16-15-10-14-11-3-5-12(6-4-11)17-8-7-13-2-1-9-18-13/h1-6,9-10,16H,7-8H2,(H,14,15)
InChIKeyYCJZBOQJVIMOPJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.01
Rot. Bonds6

About N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide

N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide (PubChem CID 20763518) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
PubChem CID20763518
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C13H14N2O2S/c16-15-10-14-11-3-5-12(6-4-11)17-8-7-13-2-1-9-18-13/h1-6,9-10,16H,7-8H2,(H,14,15)
InChIKeyYCJZBOQJVIMOPJ-UHFFFAOYSA-N
XLogP3.01
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide
CID 59104014
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566
3-[2-[4-(2-thiophen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121591
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
2-thiophen-2-ylethoxysilane
CID 154346669
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
CID 20763356

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide (CID 20763518) is N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide is ON/C=N/c1ccc(OCCc2cccs2)cc1.
What is the InChIKey of N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide?
The InChIKey is YCJZBOQJVIMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-15-10-14-11-3-5-12(6-4-11)17-8-7-13-2-1-9-18-13/h1-6,9-10,16H,7-8H2,(H,14,15).
What are the key properties of N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide?
N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide has a molecular weight of 262.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide is sourced from PubChem (CID 20763518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).