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

C18H12FN3O2S — CID 666567

IUPAC3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12
InChIInChI=1S/C18H12FN3O2S/c19-10-3-5-11(6-4-10)21-17(23)16-15(20)12-7-8-13(22-18(12)25-16)14-2-1-9-24-14/h1-9H,20H2,(H,21,23)
InChIKeyGAJNSYFOLYIDBY-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.53
Rot. Bonds3

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

3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 666567) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID666567
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12
InChIInChI=1S/C18H12FN3O2S/c19-10-3-5-11(6-4-10)21-17(23)16-15(20)12-7-8-13(22-18(12)25-16)14-2-1-9-24-14/h1-9H,20H2,(H,21,23)
InChIKeyGAJNSYFOLYIDBY-UHFFFAOYSA-N
XLogP4.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 666567) is 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GAJNSYFOLYIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-10-3-5-11(6-4-10)21-17(23)16-15(20)12-7-8-13(22-18(12)25-16)14-2-1-9-24-14/h1-9H,20H2,(H,21,23).
What are the key properties of 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 666567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).