3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C20H11F6N3OS2 — CID 1035620

IUPAC3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H11F6N3OS2/c21-19(22,23)9-3-1-4-10(7-9)28-17(30)16-15(27)14-11(20(24,25)26)8-12(29-18(14)32-16)13-5-2-6-31-13/h1-8H,27H2,(H,28,30)
InChIKeyMGFDIEFCCOXFRE-UHFFFAOYSA-N
MW487.45 g/mol
LogP6.90
Rot. Bonds3

About 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1035620) has the molecular formula C20H11F6N3OS2 and a molecular weight of 487.45 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1035620
Molecular FormulaC20H11F6N3OS2
Molecular Weight487.45 g/mol
Exact Mass487.02
IUPAC Name3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H11F6N3OS2/c21-19(22,23)9-3-1-4-10(7-9)28-17(30)16-15(27)14-11(20(24,25)26)8-12(29-18(14)32-16)13-5-2-6-31-13/h1-8H,27H2,(H,28,30)
InChIKeyMGFDIEFCCOXFRE-UHFFFAOYSA-N
XLogP6.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 1035620) is 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MGFDIEFCCOXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N3OS2/c21-19(22,23)9-3-1-4-10(7-9)28-17(30)16-15(27)14-11(20(24,25)26)8-12(29-18(14)32-16)13-5-2-6-31-13/h1-8H,27H2,(H,28,30).
What are the key properties of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 487.45 g/mol, XLogP of 6.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1035620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).