2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

C20H28N4O6S — CID 3827852

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cc(C)on3)cs2)CC1
InChIInChI=1S/C20H28N4O6S/c1-14-11-17(23-30-14)22-19(26)16-13-31-20(21-16)15-3-5-24(6-4-15)18(25)12-29-10-9-28-8-7-27-2/h11,13,15H,3-10,12H2,1-2H3,(H,22,23,26)
InChIKeyMWMJTZKCSODEFM-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.08
Rot. Bonds11

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3827852) has the molecular formula C20H28N4O6S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID3827852
Molecular FormulaC20H28N4O6S
Molecular Weight452.53 g/mol
Exact Mass452.17
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cc(C)on3)cs2)CC1
InChIInChI=1S/C20H28N4O6S/c1-14-11-17(23-30-14)22-19(26)16-13-31-20(21-16)15-3-5-24(6-4-15)18(25)12-29-10-9-28-8-7-27-2/h11,13,15H,3-10,12H2,1-2H3,(H,22,23,26)
InChIKeyMWMJTZKCSODEFM-UHFFFAOYSA-N
XLogP2.08
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (CID 3827852) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is COCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cc(C)on3)cs2)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MWMJTZKCSODEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6S/c1-14-11-17(23-30-14)22-19(26)16-13-31-20(21-16)15-3-5-24(6-4-15)18(25)12-29-10-9-28-8-7-27-2/h11,13,15H,3-10,12H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3827852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).