[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C23H26N4O4S — CID 46608984

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C23H26N4O4S/c1-30-13-10-24-19(28)15-31-22(29)17-14-18(16-8-4-2-5-9-16)25-21-20(17)32-23(26-21)27-11-6-3-7-12-27/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,24,28)
InChIKeyBYZDVAMUJYXPIV-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.27
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 46608984) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID46608984
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C23H26N4O4S/c1-30-13-10-24-19(28)15-31-22(29)17-14-18(16-8-4-2-5-9-16)25-21-20(17)32-23(26-21)27-11-6-3-7-12-27/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,24,28)
InChIKeyBYZDVAMUJYXPIV-UHFFFAOYSA-N
XLogP3.27
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 46608984) is [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is COCCNC(=O)COC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is BYZDVAMUJYXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-30-13-10-24-19(28)15-31-22(29)17-14-18(16-8-4-2-5-9-16)25-21-20(17)32-23(26-21)27-11-6-3-7-12-27/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,24,28).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate has a molecular weight of 454.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 46608984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).