1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone

C14H15FN2OS — CID 103420722

IUPAC1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C14H15FN2OS/c1-9(18)14-12(16)7-13(19-14)17(2)8-10-4-3-5-11(15)6-10/h3-7H,8,16H2,1-2H3
InChIKeyILWDOVFDCHMMIM-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds4

About 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone

1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone (PubChem CID 103420722) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
PubChem CID103420722
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C14H15FN2OS/c1-9(18)14-12(16)7-13(19-14)17(2)8-10-4-3-5-11(15)6-10/h3-7H,8,16H2,1-2H3
InChIKeyILWDOVFDCHMMIM-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methylanilino)-1-thiophen-2-ylpropan-1-one
CID 877310
3-[(4-Fluoro-3-methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2211284
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490333
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690
4-Amino-5-benzoyl-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647802
4-Amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 1830773
2-Amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
CID 2986143
3-Dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide
CID 11499932
5-acetamido-N-[(2,4-difluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 40145204
5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 41374052
3-(carbamoylamino)-5-(3-fluorophenyl)-N,N-dimethylthiophene-2-carboxamide
CID 178296123

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone (CID 103420722) is 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone is CC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N.
What is the InChIKey of 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone?
The InChIKey is ILWDOVFDCHMMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9(18)14-12(16)7-13(19-14)17(2)8-10-4-3-5-11(15)6-10/h3-7H,8,16H2,1-2H3.
What are the key properties of 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone?
1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone has a molecular weight of 278.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103420722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).