2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H24N4O3S — CID 18134053

IUPAC2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-24-15-2-4-16(5-3-15)25-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-26-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)
InChIKeyZDNLZCSNLXULOD-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.79
Rot. Bonds8

About 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 18134053) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID18134053
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-24-15-2-4-16(5-3-15)25-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-26-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)
InChIKeyZDNLZCSNLXULOD-UHFFFAOYSA-N
XLogP1.79
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 18134053) is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZDNLZCSNLXULOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-24-15-2-4-16(5-3-15)25-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-26-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18134053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).