[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone

C12H15F3N2OS — CID 103422811

IUPAC[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCN(CCC(F)(F)F)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C12H15F3N2OS/c1-17(5-4-12(13,14)15)9-6-8(16)11(19-9)10(18)7-2-3-7/h6-7H,2-5,16H2,1H3
InChIKeyDJQFXAKSWABQAX-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.31
Rot. Bonds5

About [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103422811) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103422811
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCN(CCC(F)(F)F)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C12H15F3N2OS/c1-17(5-4-12(13,14)15)9-6-8(16)11(19-9)10(18)7-2-3-7/h6-7H,2-5,16H2,1H3
InChIKeyDJQFXAKSWABQAX-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]ethanone
CID 103417611
[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103417616
1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103417626
1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103417629
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
CID 103418139
[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103418144
3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418148
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one
CID 103418154
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103418157
1-[3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
CID 103420722
[3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103420727
3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420731

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103422811) is [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone is CN(CCC(F)(F)F)c1cc(N)c(C(=O)C2CC2)s1.
What is the InChIKey of [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is DJQFXAKSWABQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-17(5-4-12(13,14)15)9-6-8(16)11(19-9)10(18)7-2-3-7/h6-7H,2-5,16H2,1H3.
What are the key properties of [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 292.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103422811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).