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

C9H10F3NOS — CID 144726669

IUPAC1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one
SMILESCCC(=O)c1c(N)sc(C)c1C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-3-5(14)6-7(9(10,11)12)4(2)15-8(6)13/h3,13H2,1-2H3
InChIKeyGPTYEYFOMUQFEY-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.25
Rot. Bonds2

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

1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one (PubChem CID 144726669) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one
PubChem CID144726669
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one
SMILESCCC(=O)c1c(N)sc(C)c1C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-3-5(14)6-7(9(10,11)12)4(2)15-8(6)13/h3,13H2,1-2H3
InChIKeyGPTYEYFOMUQFEY-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.25
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

PD 81723
CID 122028
2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
1-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)ethan-1-one
CID 12394684
5-Acetyl-2-amino-4-methylthiophene-3-carbonitrile
CID 675983
4-Ethyl-5-methyl-3-(3-trifluoromethylbenzoyl)thiophen-2-amine
CID 9796836
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
CID 2887407
1-(2-amino-4H,5H,6H-cyclopenta(b)thiophen-3-yl)ethan-1-one
CID 65354676
2-Amino-5-ethyl-4-methylthiophene-3-carboxamide
CID 12516885
1-(2-Amino-5-methylthiophen-3-yl)-2-methylpropan-1-one
CID 65355236
1-(2-Amino-4,5-dimethylthiophen-3-yl)ethanone
CID 20722966
1-(2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 65355035
1-[2-Amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone
CID 131330820

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The IUPAC name of 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one (CID 144726669) is 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The canonical SMILES for 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one is CCC(=O)c1c(N)sc(C)c1C(F)(F)F.
What is the InChIKey of 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The InChIKey is GPTYEYFOMUQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-3-5(14)6-7(9(10,11)12)4(2)15-8(6)13/h3,13H2,1-2H3.
What are the key properties of 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one?
1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one has a molecular weight of 237.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-methyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-one is sourced from PubChem (CID 144726669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).