3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

C11H16F3N3OS — CID 103422849

IUPAC3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C11H16F3N3OS/c1-3-16-10(18)9-7(15)6-8(19-9)17(2)5-4-11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyBGOMGGJVUUHVEU-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422849) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422849
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C11H16F3N3OS/c1-3-16-10(18)9-7(15)6-8(19-9)17(2)5-4-11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyBGOMGGJVUUHVEU-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422849) is 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is BGOMGGJVUUHVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-16-10(18)9-7(15)6-8(19-9)17(2)5-4-11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).