N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide

C7H8BrN3O2S — CID 107965115

IUPACN-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
SMILESNC(CNC(=O)c1csc(Br)c1)=NO
InChIInChI=1S/C7H8BrN3O2S/c8-5-1-4(3-14-5)7(12)10-2-6(9)11-13/h1,3,13H,2H2,(H2,9,11)(H,10,12)
InChIKeyNLEDWPGBNHYPOJ-UHFFFAOYSA-N
MW278.13 g/mol
LogP0.99
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide (PubChem CID 107965115) has the molecular formula C7H8BrN3O2S and a molecular weight of 278.13 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
PubChem CID107965115
Molecular FormulaC7H8BrN3O2S
Molecular Weight278.13 g/mol
Exact Mass276.95
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
SMILESNC(CNC(=O)c1csc(Br)c1)=NO
InChIInChI=1S/C7H8BrN3O2S/c8-5-1-4(3-14-5)7(12)10-2-6(9)11-13/h1,3,13H,2H2,(H2,9,11)(H,10,12)
InChIKeyNLEDWPGBNHYPOJ-UHFFFAOYSA-N
XLogP0.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 50.99
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

5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
CID 115594394
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
CID 107965114
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
5-bromo-N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]thiophene-3-carboxamide
CID 114021716
N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538790
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[[2-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 110902407
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide (CID 107965115) is N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide is NC(CNC(=O)c1csc(Br)c1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide?
The InChIKey is NLEDWPGBNHYPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2S/c8-5-1-4(3-14-5)7(12)10-2-6(9)11-13/h1,3,13H,2H2,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide has a molecular weight of 278.13 g/mol, XLogP of 0.99, 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)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107965115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).