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

C24H30N4O2S — CID 46245064

IUPAC6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ccc(COc2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1
InChIInChI=1S/C24H30N4O2S/c1-29-20-7-5-18(6-8-20)17-30-23-15-22-21(16-25-23)26-24(31-22)28-13-9-19(10-14-28)27-11-3-2-4-12-27/h5-8,15-16,19H,2-4,9-14,17H2,1H3
InChIKeyWIGYMCUQJFEZGJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.73
Rot. Bonds6

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

6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 46245064) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID46245064
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ccc(COc2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1
InChIInChI=1S/C24H30N4O2S/c1-29-20-7-5-18(6-8-20)17-30-23-15-22-21(16-25-23)26-24(31-22)28-13-9-19(10-14-28)27-11-3-2-4-12-27/h5-8,15-16,19H,2-4,9-14,17H2,1H3
InChIKeyWIGYMCUQJFEZGJ-UHFFFAOYSA-N
XLogP4.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 46245064) is 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is COc1ccc(COc2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is WIGYMCUQJFEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-29-20-7-5-18(6-8-20)17-30-23-15-22-21(16-25-23)26-24(31-22)28-13-9-19(10-14-28)27-11-3-2-4-12-27/h5-8,15-16,19H,2-4,9-14,17H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 438.60 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 46245064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).