N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

C12H8Br2N2O2S — CID 50929991

IUPACN-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccs1
InChIInChI=1S/C12H8Br2N2O2S/c13-8-5-9(14)10(17)4-7(8)6-15-16-12(18)11-2-1-3-19-11/h1-6,17H,(H,16,18)/b15-6+
InChIKeyAZLBIVIKSQGNHQ-GIDUJCDVSA-N
MW404.08 g/mol
LogP3.74
Rot. Bonds3

About N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 50929991) has the molecular formula C12H8Br2N2O2S and a molecular weight of 404.08 g/mol. Its IUPAC name is N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID50929991
Molecular FormulaC12H8Br2N2O2S
Molecular Weight404.08 g/mol
Exact Mass401.87
IUPAC NameN-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccs1
InChIInChI=1S/C12H8Br2N2O2S/c13-8-5-9(14)10(17)4-7(8)6-15-16-12(18)11-2-1-3-19-11/h1-6,17H,(H,16,18)/b15-6+
InChIKeyAZLBIVIKSQGNHQ-GIDUJCDVSA-N
XLogP3.74
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.08
LogP ≤ 53.74
H-Bond Donors ≤ 52
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-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6031492
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 1364490
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 5342520
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7264297
5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 51042921
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 136715577
N-[(E)-(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135688361

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 50929991) is N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccs1.
What is the InChIKey of N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is AZLBIVIKSQGNHQ-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H8Br2N2O2S/c13-8-5-9(14)10(17)4-7(8)6-15-16-12(18)11-2-1-3-19-11/h1-6,17H,(H,16,18)/b15-6+.
What are the key properties of N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 404.08 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 50929991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).