N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

C13H14N2O3S — CID 43646207

IUPACN'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCc1ccsc1
InChIInChI=1S/C13H14N2O3S/c1-17-12-6-10(13(14)15-16)2-3-11(12)18-7-9-4-5-19-8-9/h2-6,8,16H,7H2,1H3,(H2,14,15)
InChIKeyVPDAOYSDEVRHAE-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.43
Rot. Bonds5

About N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 43646207) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID43646207
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCc1ccsc1
InChIInChI=1S/C13H14N2O3S/c1-17-12-6-10(13(14)15-16)2-3-11(12)18-7-9-4-5-19-8-9/h2-6,8,16H,7H2,1H3,(H2,14,15)
InChIKeyVPDAOYSDEVRHAE-UHFFFAOYSA-N
XLogP2.43
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.43
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 43646207) is N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide is COc1cc(/C(N)=N/O)ccc1OCc1ccsc1.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is VPDAOYSDEVRHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-12-6-10(13(14)15-16)2-3-11(12)18-7-9-4-5-19-8-9/h2-6,8,16H,7H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 278.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 43646207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).