3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide

C11H15F3N4O2S — CID 103425780

IUPAC3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(NCC(F)(F)F)c(C(=O)NC)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-3-17-9(20)7-6(15)5(8(19)16-2)10(21-7)18-4-11(12,13)14/h18H,3-4,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUJOMQAPGPZICDP-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.41
Rot. Bonds5

About 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide

3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103425780) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
PubChem CID103425780
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(NCC(F)(F)F)c(C(=O)NC)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-3-17-9(20)7-6(15)5(8(19)16-2)10(21-7)18-4-11(12,13)14/h18H,3-4,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUJOMQAPGPZICDP-UHFFFAOYSA-N
XLogP1.41
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide (CID 103425780) is 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide is CCNC(=O)c1sc(NCC(F)(F)F)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is UJOMQAPGPZICDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-3-17-9(20)7-6(15)5(8(19)16-2)10(21-7)18-4-11(12,13)14/h18H,3-4,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103425780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).