N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide

C12H13N3O2S — CID 59104014

IUPACN-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide
SMILESON/C=N/c1ccc(OCCc2cccs2)nc1
InChIInChI=1S/C12H13N3O2S/c16-15-9-14-10-3-4-12(13-8-10)17-6-5-11-2-1-7-18-11/h1-4,7-9,16H,5-6H2,(H,14,15)
InChIKeyJDOJKAREENGBQZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.40
Rot. Bonds6

About N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide

N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide (PubChem CID 59104014) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide
PubChem CID59104014
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide
SMILESON/C=N/c1ccc(OCCc2cccs2)nc1
InChIInChI=1S/C12H13N3O2S/c16-15-9-14-10-3-4-12(13-8-10)17-6-5-11-2-1-7-18-11/h1-4,7-9,16H,5-6H2,(H,14,15)
InChIKeyJDOJKAREENGBQZ-UHFFFAOYSA-N
XLogP2.40
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
CID 20763518
6-(2-thiophen-2-ylethoxy)pyridine-3-sulfonyl chloride
CID 112572719
2-thiophen-2-ylethoxysilane
CID 154346669
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
CID 115001002
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
2-methyl-N-[[6-(2-thiophen-2-ylethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66465894
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
3-amino-6-(2-thiophen-2-ylethoxy)pyridine-2-carbonitrile
CID 103469688
6-(2-thiophen-2-ylethoxy)pyridine-2-carbonitrile
CID 64595177
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide (CID 59104014) is N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide is ON/C=N/c1ccc(OCCc2cccs2)nc1.
What is the InChIKey of N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide?
The InChIKey is JDOJKAREENGBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-15-9-14-10-3-4-12(13-8-10)17-6-5-11-2-1-7-18-11/h1-4,7-9,16H,5-6H2,(H,14,15).
What are the key properties of N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide?
N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide has a molecular weight of 263.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanimidamide is sourced from PubChem (CID 59104014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).