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

C19H26N4O3S — CID 90676542

IUPAC2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C19H26N4O3S/c1-2-25-16-5-3-4-6-17(16)26-13-12-22-8-10-23(11-9-22)15-18(24)21-19-20-7-14-27-19/h3-7,14H,2,8-13,15H2,1H3,(H,20,21,24)
InChIKeySVFCUWJNCAIRAA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.18
Rot. Bonds9

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

2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90676542) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90676542
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C19H26N4O3S/c1-2-25-16-5-3-4-6-17(16)26-13-12-22-8-10-23(11-9-22)15-18(24)21-19-20-7-14-27-19/h3-7,14H,2,8-13,15H2,1H3,(H,20,21,24)
InChIKeySVFCUWJNCAIRAA-UHFFFAOYSA-N
XLogP2.18
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90676542) is 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SVFCUWJNCAIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-2-25-16-5-3-4-6-17(16)26-13-12-22-8-10-23(11-9-22)15-18(24)21-19-20-7-14-27-19/h3-7,14H,2,8-13,15H2,1H3,(H,20,21,24).
What are the key properties of 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethoxyphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90676542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).