6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

C19H12N2O2S — CID 155391820

IUPAC6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)ncc2s1
InChIInChI=1S/C19H12N2O2S/c22-19(23)18-21-16-10-15(20-11-17(16)24-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeySKXROQKDSFOYLF-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.72
Rot. Bonds3

About 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 155391820) has the molecular formula C19H12N2O2S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID155391820
Molecular FormulaC19H12N2O2S
Molecular Weight332.38 g/mol
Exact Mass332.06
IUPAC Name6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)ncc2s1
InChIInChI=1S/C19H12N2O2S/c22-19(23)18-21-16-10-15(20-11-17(16)24-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeySKXROQKDSFOYLF-UHFFFAOYSA-N
XLogP4.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (CID 155391820) is 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is O=C(O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)ncc2s1.
What is the InChIKey of 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is SKXROQKDSFOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2S/c22-19(23)18-21-16-10-15(20-11-17(16)24-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23).
What are the key properties of 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 155391820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).