3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide

C10H16BrN3OS — CID 106034260

IUPAC3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c1-7(6-10(12)14-15)13-5-4-8-2-3-9(11)16-8/h2-3,7,13,15H,4-6H2,1H3,(H2,12,14)
InChIKeyFGJKLZJZRJEFMP-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.17
Rot. Bonds6

About 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide

3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide (PubChem CID 106034260) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
PubChem CID106034260
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c1-7(6-10(12)14-15)13-5-4-8-2-3-9(11)16-8/h2-3,7,13,15H,4-6H2,1H3,(H2,12,14)
InChIKeyFGJKLZJZRJEFMP-UHFFFAOYSA-N
XLogP2.17
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.17
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

N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
CID 77030355
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77025598
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide (CID 106034260) is 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide is CC(C/C(N)=N/O)NCCc1ccc(Br)s1.
What is the InChIKey of 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide?
The InChIKey is FGJKLZJZRJEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-7(6-10(12)14-15)13-5-4-8-2-3-9(11)16-8/h2-3,7,13,15H,4-6H2,1H3,(H2,12,14).
What are the key properties of 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide?
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide has a molecular weight of 306.23 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 106034260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).