1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone

C11H15F3N2OS2 — CID 103422805

IUPAC1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N
InChIInChI=1S/C11H15F3N2OS2/c1-6(17)8-7(15)9(18-3)10(19-8)16(2)5-4-11(12,13)14/h4-5,15H2,1-3H3
InChIKeyVKHIQVGHCNMRQV-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.64
Rot. Bonds5

About 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone

1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone (PubChem CID 103422805) has the molecular formula C11H15F3N2OS2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
PubChem CID103422805
Molecular FormulaC11H15F3N2OS2
Molecular Weight312.38 g/mol
Exact Mass312.06
IUPAC Name1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N
InChIInChI=1S/C11H15F3N2OS2/c1-6(17)8-7(15)9(18-3)10(19-8)16(2)5-4-11(12,13)14/h4-5,15H2,1-3H3
InChIKeyVKHIQVGHCNMRQV-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophen-2-yl]ethanone
CID 103421853
1-[3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophen-2-yl]propan-1-one
CID 103421859
4-Amino-5-(cyclopropanecarbonyl)-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carbonitrile
CID 103422796
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103422797
4-Amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422798
1-[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422799
3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422801
3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422806
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422807
1-[3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422812
3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422814
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
CID 103422819

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone (CID 103422805) is 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone is CSc1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone?
The InChIKey is VKHIQVGHCNMRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS2/c1-6(17)8-7(15)9(18-3)10(19-8)16(2)5-4-11(12,13)14/h4-5,15H2,1-3H3.
What are the key properties of 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone?
1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone has a molecular weight of 312.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103422805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).