3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C17H13N3O2S2 — CID 23904183

IUPAC3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C17H13N3O2S2/c18-14-11-5-6-12(13-4-2-8-23-13)20-17(11)24-15(14)16(21)19-9-10-3-1-7-22-10/h1-8H,9,18H2,(H,19,21)
InChIKeyNQYMOTAWXUEQPS-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.13
Rot. Bonds4

About 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23904183) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23904183
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C17H13N3O2S2/c18-14-11-5-6-12(13-4-2-8-23-13)20-17(11)24-15(14)16(21)19-9-10-3-1-7-22-10/h1-8H,9,18H2,(H,19,21)
InChIKeyNQYMOTAWXUEQPS-UHFFFAOYSA-N
XLogP4.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23904183) is 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCc2ccco2)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NQYMOTAWXUEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c18-14-11-5-6-12(13-4-2-8-23-13)20-17(11)24-15(14)16(21)19-9-10-3-1-7-22-10/h1-8H,9,18H2,(H,19,21).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23904183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).