6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

C23H28N4OS — CID 45482743

IUPAC6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1
InChIInChI=1S/C23H28N4OS/c1-28-20-7-5-6-17(14-20)18-15-21-22(24-16-18)25-23(29-21)27-12-8-19(9-13-27)26-10-3-2-4-11-26/h5-7,14-16,19H,2-4,8-13H2,1H3
InChIKeyPKEYUZLKZFFHLI-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.82
Rot. Bonds4

About 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482743) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482743
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1
InChIInChI=1S/C23H28N4OS/c1-28-20-7-5-6-17(14-20)18-15-21-22(24-16-18)25-23(29-21)27-12-8-19(9-13-27)26-10-3-2-4-11-26/h5-7,14-16,19H,2-4,8-13H2,1H3
InChIKeyPKEYUZLKZFFHLI-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 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482743) is 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is COc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is PKEYUZLKZFFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-28-20-7-5-6-17(14-20)18-15-21-22(24-16-18)25-23(29-21)27-12-8-19(9-13-27)26-10-3-2-4-11-26/h5-7,14-16,19H,2-4,8-13H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-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 6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).