2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide

C7H10BrN3OS — CID 77030355

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
SMILESNC(CNCc1ccc(Br)s1)=NO
InChIInChI=1S/C7H10BrN3OS/c8-6-2-1-5(13-6)3-10-4-7(9)11-12/h1-2,10,12H,3-4H2,(H2,9,11)
InChIKeyPRJGIYCZDHJMIG-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.35
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide

2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide (PubChem CID 77030355) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
PubChem CID77030355
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
SMILESNC(CNCc1ccc(Br)s1)=NO
InChIInChI=1S/C7H10BrN3OS/c8-6-2-1-5(13-6)3-10-4-7(9)11-12/h1-2,10,12H,3-4H2,(H2,9,11)
InChIKeyPRJGIYCZDHJMIG-UHFFFAOYSA-N
XLogP1.35
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.35
H-Bond Donors ≤ 53
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-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071211
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 115121348
N-[(5-bromothiophen-2-yl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80594461
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040
2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
CID 54900646
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide (CID 77030355) is 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide is NC(CNCc1ccc(Br)s1)=NO.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide?
The InChIKey is PRJGIYCZDHJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c8-6-2-1-5(13-6)3-10-4-7(9)11-12/h1-2,10,12H,3-4H2,(H2,9,11).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide?
2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide has a molecular weight of 264.15 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).