3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile

C14H9N3S — CID 683738

IUPAC3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C14H9N3S/c15-8-12-13(16)10-6-7-11(17-14(10)18-12)9-4-2-1-3-5-9/h1-7H,16H2
InChIKeyFYMPETSORRUHBW-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.42
Rot. Bonds1

About 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 683738) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID683738
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C14H9N3S/c15-8-12-13(16)10-6-7-11(17-14(10)18-12)9-4-2-1-3-5-9/h1-7H,16H2
InChIKeyFYMPETSORRUHBW-UHFFFAOYSA-N
XLogP3.42
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile (CID 683738) is 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3ccccc3)ccc2c1N.
What is the InChIKey of 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is FYMPETSORRUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-8-12-13(16)10-6-7-11(17-14(10)18-12)9-4-2-1-3-5-9/h1-7H,16H2.
What are the key properties of 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 683738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).