1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one

C15H17FN2OS — CID 103418154

IUPAC1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H17FN2OS/c1-3-13(19)15-12(17)8-14(20-15)18(2)9-10-4-6-11(16)7-5-10/h4-8H,3,9,17H2,1-2H3
InChIKeyFIQRFGCOVMUAMZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.70
Rot. Bonds5

About 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one

1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one (PubChem CID 103418154) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one
PubChem CID103418154
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H17FN2OS/c1-3-13(19)15-12(17)8-14(20-15)18(2)9-10-4-6-11(16)7-5-10/h4-8H,3,9,17H2,1-2H3
InChIKeyFIQRFGCOVMUAMZ-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Fluoro-3-methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2211284
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690
4-Amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 1830773
3-Dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide
CID 11499932
5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 41374052
3-(3-Fluoro-4-methylanilino)-1-(2-thienyl)-1-propanone
CID 4161553
4-Amino-5-(cyclopropylcarbonyl)-2-[(4-fluorophenyl)amino]thiophene-3-carbonitrile
CID 912110
4-Amino-2-(ethylamino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 912882
4-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]thieno[3,2-b]pyridin-7-one
CID 132381020
4-Amino-5-(4-fluorobenzoyl)-2-(methylamino)thiophene-3-carbonitrile
CID 1507592
3-Acetamido-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9878749
5-(4-Fluorophenyl)-thieno[3,2-b]pyridin-7-ol
CID 9899617

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one (CID 103418154) is 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)Cc2ccc(F)cc2)cc1N.
What is the InChIKey of 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one?
The InChIKey is FIQRFGCOVMUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-3-13(19)15-12(17)8-14(20-15)18(2)9-10-4-6-11(16)7-5-10/h4-8H,3,9,17H2,1-2H3.
What are the key properties of 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103418154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).