3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide

C13H14FN3OS — CID 103418148

IUPAC3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C13H14FN3OS/c1-17(7-8-2-4-9(14)5-3-8)11-6-10(15)12(19-11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18)
InChIKeyPPOFUBHOINIAAH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide

3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide (PubChem CID 103418148) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
PubChem CID103418148
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C13H14FN3OS/c1-17(7-8-2-4-9(14)5-3-8)11-6-10(15)12(19-11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18)
InChIKeyPPOFUBHOINIAAH-UHFFFAOYSA-N
XLogP2.20
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490343
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490356
5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
CID 138490372
2-{[(4-Fluoroanilino)carbothioyl]amino}-4,5-dimethylthiophene-3-carboxamide
CID 681202
5-amino-3-methyl-N2-phenylthiophene-2,4-dicarboxamide
CID 737136
3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 2782903
5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490333
5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490362
5-amino-2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2,4-dicarboxamide
CID 138490370
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690
5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide
CID 138490335
5-amino-3-methyl-2-N-[4-(trifluoromethyl)phenyl]thiophene-2,4-dicarboxamide
CID 138490364

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide (CID 103418148) is 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide is CN(Cc1ccc(F)cc1)c1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The InChIKey is PPOFUBHOINIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-17(7-8-2-4-9(14)5-3-8)11-6-10(15)12(19-11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).