3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

C10H12F3N3O2S — CID 61108321

IUPAC3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C10H12F3N3O2S/c1-16(4-7(17)15-5-10(11,12)13)9(18)8-6(14)2-3-19-8/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyYMKGAQPNZPZPCJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 61108321) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
PubChem CID61108321
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C10H12F3N3O2S/c1-16(4-7(17)15-5-10(11,12)13)9(18)8-6(14)2-3-19-8/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyYMKGAQPNZPZPCJ-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (CID 61108321) is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is YMKGAQPNZPZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-16(4-7(17)15-5-10(11,12)13)9(18)8-6(14)2-3-19-8/h2-3H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 61108321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).