1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone

C12H15F3N2OS — CID 103526353

IUPAC1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCC(F)(F)F)c(C2CC2)c1N
InChIInChI=1S/C12H15F3N2OS/c1-6(18)10-9(16)8(7-2-3-7)11(19-10)17-5-4-12(13,14)15/h7,17H,2-5,16H2,1H3
InChIKeyZWYVECVDSQMVCI-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.77
Rot. Bonds5

About 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone

1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone (PubChem CID 103526353) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
PubChem CID103526353
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCC(F)(F)F)c(C2CC2)c1N
InChIInChI=1S/C12H15F3N2OS/c1-6(18)10-9(16)8(7-2-3-7)11(19-10)17-5-4-12(13,14)15/h7,17H,2-5,16H2,1H3
InChIKeyZWYVECVDSQMVCI-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
3-amino-4-cyclopropyl-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505983
1-[3-amino-4-cyclopropyl-5-(prop-2-enylamino)thiophen-2-yl]ethanone
CID 103510024
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
[3-amino-4-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425805
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
1-[3-amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]ethanone
CID 103505961
1-[3-amino-4-methylsulfanyl-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]ethanone
CID 103506026
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone (CID 103526353) is 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone is CC(=O)c1sc(NCCC(F)(F)F)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone?
The InChIKey is ZWYVECVDSQMVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-6(18)10-9(16)8(7-2-3-7)11(19-10)17-5-4-12(13,14)15/h7,17H,2-5,16H2,1H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone?
1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone has a molecular weight of 292.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 103526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).