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

C13H8F3N3O2S — CID 4775654

IUPAC3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)7-4-5(6-2-1-3-21-6)8-9(17)10(11(18)20)22-12(8)19-7/h1-4H,17H2,(H2,18,20)
InChIKeyTZESNZJMLMCESM-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.26
Rot. Bonds2

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

3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 4775654) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID4775654
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)7-4-5(6-2-1-3-21-6)8-9(17)10(11(18)20)22-12(8)19-7/h1-4H,17H2,(H2,18,20)
InChIKeyTZESNZJMLMCESM-UHFFFAOYSA-N
XLogP3.26
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 4775654) is 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N.
What is the InChIKey of 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TZESNZJMLMCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)7-4-5(6-2-1-3-21-6)8-9(17)10(11(18)20)22-12(8)19-7/h1-4H,17H2,(H2,18,20).
What are the key properties of 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 4775654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).