5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide

C10H7BrN2O2S — CID 5421765

IUPAC5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1ccc(Br)o1
InChIInChI=1S/C10H7BrN2O2S/c11-9-4-3-8(15-9)10(14)13-12-6-7-2-1-5-16-7/h1-6H,(H,13,14)/b12-6-
InChIKeyITCFUVPYMNCVGT-SDQBBNPISA-N
MW299.15 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide

5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide (PubChem CID 5421765) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
PubChem CID5421765
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1ccc(Br)o1
InChIInChI=1S/C10H7BrN2O2S/c11-9-4-3-8(15-9)10(14)13-12-6-7-2-1-5-16-7/h1-6H,(H,13,14)/b12-6-
InChIKeyITCFUVPYMNCVGT-SDQBBNPISA-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

5-bromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 5411667
5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
CID 3788179
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
CID 174239538
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
1-[(4-bromophenyl)methyl]-N-(thiophen-2-ylmethylideneamino)pyrazole-3-carboxamide
CID 1272052

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide (CID 5421765) is 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C\c1cccs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is ITCFUVPYMNCVGT-SDQBBNPISA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-9-4-3-8(15-9)10(14)13-12-6-7-2-1-5-16-7/h1-6H,(H,13,14)/b12-6-.
What are the key properties of 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide?
5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]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 5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5421765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).