5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

C12H9FN2O2S — CID 155881796

IUPAC5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(F)s1
InChIInChI=1S/C12H9FN2O2S/c13-11-6-5-10(18-11)12(17)15-14-7-8-3-1-2-4-9(8)16/h1-7,16H,(H,15,17)/b14-7+
InChIKeyAEVGZXVJRSVLJB-VGOFMYFVSA-N
MW264.28 g/mol
LogP2.36
Rot. Bonds3

About 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 155881796) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID155881796
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(F)s1
InChIInChI=1S/C12H9FN2O2S/c13-11-6-5-10(18-11)12(17)15-14-7-8-3-1-2-4-9(8)16/h1-7,16H,(H,15,17)/b14-7+
InChIKeyAEVGZXVJRSVLJB-VGOFMYFVSA-N
XLogP2.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
CID 155881783
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 171133970
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881784
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 155881796) is 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is AEVGZXVJRSVLJB-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-11-6-5-10(18-11)12(17)15-14-7-8-3-1-2-4-9(8)16/h1-7,16H,(H,15,17)/b14-7+.
What are the key properties of 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 155881796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).