2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide

C14H15FN2O2S — CID 43609289

IUPAC2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(COc2cccc(F)c2/C(N)=N/O)s1
InChIInChI=1S/C14H15FN2O2S/c1-2-9-6-7-10(20-9)8-19-12-5-3-4-11(15)13(12)14(16)17-18/h3-7,18H,2,8H2,1H3,(H2,16,17)
InChIKeyHCEXFLRXKQXVTK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.12
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide

2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43609289) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43609289
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(COc2cccc(F)c2/C(N)=N/O)s1
InChIInChI=1S/C14H15FN2O2S/c1-2-9-6-7-10(20-9)8-19-12-5-3-4-11(15)13(12)14(16)17-18/h3-7,18H,2,8H2,1H3,(H2,16,17)
InChIKeyHCEXFLRXKQXVTK-UHFFFAOYSA-N
XLogP3.12
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.12
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

2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
CID 104831290
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 43609289) is 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide is CCc1ccc(COc2cccc(F)c2/C(N)=N/O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HCEXFLRXKQXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-9-6-7-10(20-9)8-19-12-5-3-4-11(15)13(12)14(16)17-18/h3-7,18H,2,8H2,1H3,(H2,16,17).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).