N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide

C7H7Br2N3O2S — CID 80538790

IUPACN-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
SMILESNC(CNC(=O)c1cc(Br)c(Br)s1)=NO
InChIInChI=1S/C7H7Br2N3O2S/c8-3-1-4(15-6(3)9)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13)
InChIKeyABUBJNQVTOZHRE-UHFFFAOYSA-N
MW357.03 g/mol
LogP1.75
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 80538790) has the molecular formula C7H7Br2N3O2S and a molecular weight of 357.03 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID80538790
Molecular FormulaC7H7Br2N3O2S
Molecular Weight357.03 g/mol
Exact Mass354.86
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
SMILESNC(CNC(=O)c1cc(Br)c(Br)s1)=NO
InChIInChI=1S/C7H7Br2N3O2S/c8-3-1-4(15-6(3)9)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13)
InChIKeyABUBJNQVTOZHRE-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)-4,5-dibromothiophene-2-carboxamide
CID 60668533
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
CID 47439346
N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
CID 107965114
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
CID 112551114
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538796

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide (CID 80538790) is N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide is NC(CNC(=O)c1cc(Br)c(Br)s1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is ABUBJNQVTOZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O2S/c8-3-1-4(15-6(3)9)7(13)11-2-5(10)12-14/h1,14H,2H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-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-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 80538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).