3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

C18H12N2O2S2 — CID 23007360

IUPAC3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H12N2O2S2/c19-15-14-11(10-5-2-1-3-6-10)9-12(13-7-4-8-23-13)20-17(14)24-16(15)18(21)22/h1-9H,19H2,(H,21,22)
InChIKeyYLAIQNSWCKTXRM-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.97
Rot. Bonds3

About 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 23007360) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID23007360
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H12N2O2S2/c19-15-14-11(10-5-2-1-3-6-10)9-12(13-7-4-8-23-13)20-17(14)24-16(15)18(21)22/h1-9H,19H2,(H,21,22)
InChIKeyYLAIQNSWCKTXRM-UHFFFAOYSA-N
XLogP4.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 23007360) is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YLAIQNSWCKTXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c19-15-14-11(10-5-2-1-3-6-10)9-12(13-7-4-8-23-13)20-17(14)24-16(15)18(21)22/h1-9H,19H2,(H,21,22).
What are the key properties of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 352.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 23007360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).