N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide

C7H7Br2N3O2S — CID 107965114

IUPACN-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
SMILESN/C(CNC(=O)c1cc(Br)sc1Br)=N/O
InChIInChI=1S/C7H7Br2N3O2S/c8-4-1-3(6(9)15-4)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13)
InChIKeyXLEUENXFQYEUCF-UHFFFAOYSA-N
MW357.03 g/mol
LogP1.75
Rot. Bonds3

About N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide

N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide (PubChem CID 107965114) has the molecular formula C7H7Br2N3O2S and a molecular weight of 357.03 g/mol. Its IUPAC name is N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
PubChem CID107965114
Molecular FormulaC7H7Br2N3O2S
Molecular Weight357.03 g/mol
Exact Mass354.86
IUPAC NameN-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
SMILESN/C(CNC(=O)c1cc(Br)sc1Br)=N/O
InChIInChI=1S/C7H7Br2N3O2S/c8-4-1-3(6(9)15-4)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13)
InChIKeyXLEUENXFQYEUCF-UHFFFAOYSA-N
XLogP1.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.03
LogP ≤ 51.75
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-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
2,5-dibromo-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]thiophene-3-carboxamide
CID 107965172
N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538790
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2,5-dibromothiophene-3-carboxamide
CID 107965206
2,5-dibromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]thiophene-3-carboxamide
CID 107965106
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 103806921
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromothiophene-3-carboxamide
CID 103806244
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide (CID 107965114) is N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide is N/C(CNC(=O)c1cc(Br)sc1Br)=N/O.
What is the InChIKey of N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide?
The InChIKey is XLEUENXFQYEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O2S/c8-4-1-3(6(9)15-4)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13).
What are the key properties of N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide?
N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide has a molecular weight of 357.03 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 107965114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).