5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide

C12H11FN2O2S — CID 79614134

IUPAC5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccc(O)c(F)c2)c1
InChIInChI=1S/C12H11FN2O2S/c13-10-4-8(1-2-11(10)16)15-5-9-3-7(6-18-9)12(14)17/h1-4,6,15-16H,5H2,(H2,14,17)
InChIKeyIYVRQZAJVXCGMM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds4

About 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide

5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614134) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
PubChem CID79614134
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccc(O)c(F)c2)c1
InChIInChI=1S/C12H11FN2O2S/c13-10-4-8(1-2-11(10)16)15-5-9-3-7(6-18-9)12(14)17/h1-4,6,15-16H,5H2,(H2,14,17)
InChIKeyIYVRQZAJVXCGMM-UHFFFAOYSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(3-bromo-4-iodoanilino)methyl]thiophene-3-carboxamide
CID 114261938
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
5-[(3-bromo-4-nitroanilino)methyl]thiophene-3-carboxamide
CID 82865173
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide (CID 79614134) is 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2ccc(O)c(F)c2)c1.
What is the InChIKey of 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide?
The InChIKey is IYVRQZAJVXCGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-10-4-8(1-2-11(10)16)15-5-9-3-7(6-18-9)12(14)17/h1-4,6,15-16H,5H2,(H2,14,17).
What are the key properties of 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide?
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).