5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide

C13H11FN2O3S — CID 155881784

IUPAC5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(F)s2)ccc1O
InChIInChI=1S/C13H11FN2O3S/c1-19-10-6-8(2-3-9(10)17)7-15-16-13(18)11-4-5-12(14)20-11/h2-7,17H,1H3,(H,16,18)/b15-7+
InChIKeyINSVEOWUHJHOMA-VIZOYTHASA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds4

About 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide

5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 155881784) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID155881784
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(F)s2)ccc1O
InChIInChI=1S/C13H11FN2O3S/c1-19-10-6-8(2-3-9(10)17)7-15-16-13(18)11-4-5-12(14)20-11/h2-7,17H,1H3,(H,16,18)/b15-7+
InChIKeyINSVEOWUHJHOMA-VIZOYTHASA-N
XLogP2.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 171133970
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
CID 155881783
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4002276
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 155881784) is 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccc(F)s2)ccc1O.
What is the InChIKey of 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is INSVEOWUHJHOMA-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-19-10-6-8(2-3-9(10)17)7-15-16-13(18)11-4-5-12(14)20-11/h2-7,17H,1H3,(H,16,18)/b15-7+.
What are the key properties of 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 155881784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).