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

C14H15FN2OS — CID 114830951

IUPAC2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
SMILESCc1c(-c2ccccc2F)sc(N)c1C(=O)N(C)C
InChIInChI=1S/C14H15FN2OS/c1-8-11(14(18)17(2)3)13(16)19-12(8)9-6-4-5-7-10(9)15/h4-7H,16H2,1-3H3
InChIKeyJTYGQWQUENPDDW-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.15
Rot. Bonds2

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

2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide (PubChem CID 114830951) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
PubChem CID114830951
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
SMILESCc1c(-c2ccccc2F)sc(N)c1C(=O)N(C)C
InChIInChI=1S/C14H15FN2OS/c1-8-11(14(18)17(2)3)13(16)19-12(8)9-6-4-5-7-10(9)15/h4-7H,16H2,1-3H3
InChIKeyJTYGQWQUENPDDW-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
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-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 114830957
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
2-amino-N,N-dimethyl-4H-thieno[2,3-c]chromene-1-carboxamide
CID 43367285
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83034432
2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
CID 67628523
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
2-amino-4-(2-bromophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852429

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide (CID 114830951) is 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide is Cc1c(-c2ccccc2F)sc(N)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide?
The InChIKey is JTYGQWQUENPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-11(14(18)17(2)3)13(16)19-12(8)9-6-4-5-7-10(9)15/h4-7H,16H2,1-3H3.
What are the key properties of 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide?
2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 114830951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).