2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide

C13H13FN2OS — CID 114830937

IUPAC2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCNC(=O)c1c(N)sc(-c2ccccc2F)c1C
InChIInChI=1S/C13H13FN2OS/c1-7-10(13(17)16-2)12(15)18-11(7)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyOBFYLLRFKICCEB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide

2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide (PubChem CID 114830937) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
PubChem CID114830937
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCNC(=O)c1c(N)sc(-c2ccccc2F)c1C
InChIInChI=1S/C13H13FN2OS/c1-7-10(13(17)16-2)12(15)18-11(7)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyOBFYLLRFKICCEB-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
CID 114830951
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 114830957
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 43174781
ethyl 2-amino-4-[[2-(2-fluorophenyl)acetyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 8661287
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
ethane;2-fluoro-N-methylbenzamide
CID 178102327
N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110676745
N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110676773
3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83034432

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide (CID 114830937) is 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide is CNC(=O)c1c(N)sc(-c2ccccc2F)c1C.
What is the InChIKey of 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is OBFYLLRFKICCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-7-10(13(17)16-2)12(15)18-11(7)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide?
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 114830937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).