5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

C23H28N4OS — CID 46245149

IUPAC5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2ccc3nc(N4CCC(N5CCCCC5)CC4)sc3n2)cc1
InChIInChI=1S/C23H28N4OS/c1-28-19-7-5-17(6-8-19)20-9-10-21-22(24-20)29-23(25-21)27-15-11-18(12-16-27)26-13-3-2-4-14-26/h5-10,18H,2-4,11-16H2,1H3
InChIKeyQFPOAALUNIJYIJ-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.82
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 46245149) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID46245149
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2ccc3nc(N4CCC(N5CCCCC5)CC4)sc3n2)cc1
InChIInChI=1S/C23H28N4OS/c1-28-19-7-5-17(6-8-19)20-9-10-21-22(24-20)29-23(25-21)27-15-11-18(12-16-27)26-13-3-2-4-14-26/h5-10,18H,2-4,11-16H2,1H3
InChIKeyQFPOAALUNIJYIJ-UHFFFAOYSA-N
XLogP4.82
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 46245149) is 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is COc1ccc(-c2ccc3nc(N4CCC(N5CCCCC5)CC4)sc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is QFPOAALUNIJYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-28-19-7-5-17(6-8-19)20-9-10-21-22(24-20)29-23(25-21)27-15-11-18(12-16-27)26-13-3-2-4-14-26/h5-10,18H,2-4,11-16H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 408.57 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 46245149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).