4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide

C13H13BrN2O2S — CID 114904301

IUPAC4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1OCCc1cccs1
InChIInChI=1S/C13H13BrN2O2S/c14-9-3-4-11(13(15)16-17)12(8-9)18-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6H2,(H2,15,16)
InChIKeyTZIWZBDYNPBRTQ-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.23
Rot. Bonds5

About 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide

4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide (PubChem CID 114904301) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide
PubChem CID114904301
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1OCCc1cccs1
InChIInChI=1S/C13H13BrN2O2S/c14-9-3-4-11(13(15)16-17)12(8-9)18-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6H2,(H2,15,16)
InChIKeyTZIWZBDYNPBRTQ-UHFFFAOYSA-N
XLogP3.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.23
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

4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 114904269
4-bromo-N'-hydroxy-2-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 114904356
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide (CID 114904301) is 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1OCCc1cccs1.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The InChIKey is TZIWZBDYNPBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-9-3-4-11(13(15)16-17)12(8-9)18-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6H2,(H2,15,16).
What are the key properties of 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide has a molecular weight of 341.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 114904301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).