N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide

C10H7BrN2O2S — CID 6865141

IUPACN-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1ccco1
InChIInChI=1S/C10H7BrN2O2S/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6+
InChIKeyLVEAILHGWGOIGN-WUXMJOGZSA-N
MW299.15 g/mol
LogP2.87
Rot. Bonds3

About N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide

N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 6865141) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID6865141
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC NameN-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1ccco1
InChIInChI=1S/C10H7BrN2O2S/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6+
InChIKeyLVEAILHGWGOIGN-WUXMJOGZSA-N
XLogP2.87
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(thiophen-2-ylcarbonyl)furan-2-carbohydrazide
CID 809206
N'~2~-[(E)-1-(2-Methyl-3-thienyl)methylidene]-2-furohydrazide
CID 5334350
N'-[(E)-(5-methylthiophen-2-yl)methylidene]furan-2-carbohydrazide
CID 5393109
N'-(3-(2-Furyl)-2-propenylidene)-2-thiophenecarbohydrazide
CID 6865118
N'-[1-(5-bromo-2-thienyl)ethylidene]-2-furohydrazide
CID 5906185
5-bromo-N'-[(5-ethyl-2-thienyl)methylene]-2-furohydrazide
CID 5411784
5-bromo-N-[(Z)-1-thiophen-2-ylethylideneamino]furan-2-carboxamide
CID 5723542
N-{2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl}-2-furamide
CID 6895868
5-bromo-N'-(2-thienylcarbonyl)-2-furohydrazide
CID 729919
N'-[(1E,2Z)-3-(2-furyl)prop-2-enylidene]thiophene-2-carbohydrazide
CID 6865117
N'-(2-furylmethylene)-2-thiophenecarbohydrazide
CID 6867869
5-bromo-N'-(2-furylmethylene)-2-furohydrazide
CID 5334529

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide (CID 6865141) is N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(Br)s1)c1ccco1.
What is the InChIKey of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is LVEAILHGWGOIGN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6+.
What are the key properties of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide?
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 299.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6865141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).