3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane

C24H22N2O4S — CID 16682690

IUPAC3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane
SMILESC1COCCO1.Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O2S.C4H8O2/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24;1-2-6-4-3-5-1/h1-11H,21H2,(H,23,24);1-4H2
InChIKeyHBDWSQXHDCBOAM-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.94
Rot. Bonds3

About 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane

3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane (PubChem CID 16682690) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane.

Molecular Properties

Compound Name3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane
PubChem CID16682690
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane
SMILESC1COCCO1.Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O2S.C4H8O2/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24;1-2-6-4-3-5-1/h1-11H,21H2,(H,23,24);1-4H2
InChIKeyHBDWSQXHDCBOAM-UHFFFAOYSA-N
XLogP4.94
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane?
The IUPAC name of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane (CID 16682690) is 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane.
What is the SMILES notation for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane?
The canonical SMILES for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane is C1COCCO1.Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane?
The InChIKey is HBDWSQXHDCBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S.C4H8O2/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24;1-2-6-4-3-5-1/h1-11H,21H2,(H,23,24);1-4H2.
What are the key properties of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane?
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane has a molecular weight of 434.52 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid;1,4-dioxane is sourced from PubChem (CID 16682690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).