6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

C22H14N2O4S — CID 46846701

IUPAC6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C22H14N2O4S/c1-27-18-10-9-13(19-12-5-2-3-8-17(12)28-20(18)19)21-24-16(11-29-21)14-6-4-7-15(23-14)22(25)26/h2-11H,1H3,(H,25,26)
InChIKeyFIDAMDDWCVFHHG-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.48
Rot. Bonds4

About 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 46846701) has the molecular formula C22H14N2O4S and a molecular weight of 402.43 g/mol. Its IUPAC name is 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
PubChem CID46846701
Molecular FormulaC22H14N2O4S
Molecular Weight402.43 g/mol
Exact Mass402.07
IUPAC Name6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C22H14N2O4S/c1-27-18-10-9-13(19-12-5-2-3-8-17(12)28-20(18)19)21-24-16(11-29-21)14-6-4-7-15(23-14)22(25)26/h2-11H,1H3,(H,25,26)
InChIKeyFIDAMDDWCVFHHG-UHFFFAOYSA-N
XLogP5.48
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (CID 46846701) is 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is COc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)c2c1oc1ccccc12.
What is the InChIKey of 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is FIDAMDDWCVFHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4S/c1-27-18-10-9-13(19-12-5-2-3-8-17(12)28-20(18)19)21-24-16(11-29-21)14-6-4-7-15(23-14)22(25)26/h2-11H,1H3,(H,25,26).
What are the key properties of 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 402.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 46846701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).