2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide

C12H10BrClN2O2S — CID 114323283

IUPAC2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H10BrClN2O2S/c13-10-5-4-7(19-10)6-18-9-3-1-2-8(14)11(9)12(15)16-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyXDEWOMYLFLNMFP-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.84
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide

2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 114323283) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID114323283
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H10BrClN2O2S/c13-10-5-4-7(19-10)6-18-9-3-1-2-8(14)11(9)12(15)16-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyXDEWOMYLFLNMFP-UHFFFAOYSA-N
XLogP3.84
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.84
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'}

Analyze 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666206
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
(5-bromothiophen-2-yl)methyl 2-amino-6-chlorobenzoate
CID 63662744
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-chloro-N'-hydroxy-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331982

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide (CID 114323283) is 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Cl)cccc1OCc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XDEWOMYLFLNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-10-5-4-7(19-10)6-18-9-3-1-2-8(14)11(9)12(15)16-17/h1-5,17H,6H2,(H2,15,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide?
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 361.65 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114323283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).