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

C12H17F3N2O2S — CID 103422855

IUPAC1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CCC(F)(F)F)c(OC)c1N
InChIInChI=1S/C12H17F3N2O2S/c1-4-7(18)10-8(16)9(19-3)11(20-10)17(2)6-5-12(13,14)15/h4-6,16H2,1-3H3
InChIKeyRUJVFJGBOWQDJI-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.32
Rot. Bonds6

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

1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one (PubChem CID 103422855) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
PubChem CID103422855
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CCC(F)(F)F)c(OC)c1N
InChIInChI=1S/C12H17F3N2O2S/c1-4-7(18)10-8(16)9(19-3)11(20-10)17(2)6-5-12(13,14)15/h4-6,16H2,1-3H3
InChIKeyRUJVFJGBOWQDJI-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-methoxy-5-[methyl(2-methylpropyl)amino]thiophen-2-yl]propan-1-one
CID 103421218
1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103419257
1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420387
methyl 4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103509440
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103421370
5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422845
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one (CID 103422855) is 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)CCC(F)(F)F)c(OC)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The InChIKey is RUJVFJGBOWQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-4-7(18)10-8(16)9(19-3)11(20-10)17(2)6-5-12(13,14)15/h4-6,16H2,1-3H3.
What are the key properties of 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one has a molecular weight of 310.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103422855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).