2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide

C19H22N4O3S — CID 45495934

IUPAC2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1
InChIInChI=1S/C19H22N4O3S/c20-15(24)11-26-13-6-4-5-12(9-13)14-10-16(25)21-18-17(14)27-19(22-18)23-7-2-1-3-8-23/h4-6,9,14H,1-3,7-8,10-11H2,(H2,20,24)(H,21,25)
InChIKeyITLFJUXQLQJKPE-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.47
Rot. Bonds5

About 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide

2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide (PubChem CID 45495934) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide
PubChem CID45495934
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1
InChIInChI=1S/C19H22N4O3S/c20-15(24)11-26-13-6-4-5-12(9-13)14-10-16(25)21-18-17(14)27-19(22-18)23-7-2-1-3-8-23/h4-6,9,14H,1-3,7-8,10-11H2,(H2,20,24)(H,21,25)
InChIKeyITLFJUXQLQJKPE-UHFFFAOYSA-N
XLogP2.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide?
The IUPAC name of 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide (CID 45495934) is 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide is NC(=O)COc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1.
What is the InChIKey of 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide?
The InChIKey is ITLFJUXQLQJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c20-15(24)11-26-13-6-4-5-12(9-13)14-10-16(25)21-18-17(14)27-19(22-18)23-7-2-1-3-8-23/h4-6,9,14H,1-3,7-8,10-11H2,(H2,20,24)(H,21,25).
What are the key properties of 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide?
2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide is sourced from PubChem (CID 45495934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).