N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide

C12H12N2O2S — CID 43646208

IUPACN'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C12H12N2O2S/c13-12(14-15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h1-6,8,15H,7H2,(H2,13,14)
InChIKeyGPMRPTIEMCEEOK-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.42
Rot. Bonds4

About N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 43646208) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID43646208
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C12H12N2O2S/c13-12(14-15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h1-6,8,15H,7H2,(H2,13,14)
InChIKeyGPMRPTIEMCEEOK-UHFFFAOYSA-N
XLogP2.42
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.42
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 43646208) is N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide is N/C(=N\O)c1cccc(OCc2ccsc2)c1.
What is the InChIKey of N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is GPMRPTIEMCEEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-12(14-15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h1-6,8,15H,7H2,(H2,13,14).
What are the key properties of N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 248.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 43646208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).