3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile

C18H11N3OS — CID 629074

IUPAC3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C18H11N3OS/c19-10-15-17(20)16-12(14-7-4-8-22-14)9-13(21-18(16)23-15)11-5-2-1-3-6-11/h1-9H,20H2
InChIKeyLFJICCDPLURPSG-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.68
Rot. Bonds2

About 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 629074) has the molecular formula C18H11N3OS and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID629074
Molecular FormulaC18H11N3OS
Molecular Weight317.37 g/mol
Exact Mass317.06
IUPAC Name3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C18H11N3OS/c19-10-15-17(20)16-12(14-7-4-8-22-14)9-13(21-18(16)23-15)11-5-2-1-3-6-11/h1-9H,20H2
InChIKeyLFJICCDPLURPSG-UHFFFAOYSA-N
XLogP4.68
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile (CID 629074) is 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N.
What is the InChIKey of 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is LFJICCDPLURPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3OS/c19-10-15-17(20)16-12(14-7-4-8-22-14)9-13(21-18(16)23-15)11-5-2-1-3-6-11/h1-9H,20H2.
What are the key properties of 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 317.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).