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

C19H26N4O2S — CID 90643647

IUPAC2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)c(C)c1
InChIInChI=1S/C19H26N4O2S/c1-15-3-4-17(16(2)13-15)25-11-10-22-6-8-23(9-7-22)14-18(24)21-19-20-5-12-26-19/h3-5,12-13H,6-11,14H2,1-2H3,(H,20,21,24)
InChIKeyOUAMRGVOXHXWRT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.40
Rot. Bonds7

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

2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90643647) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90643647
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)c(C)c1
InChIInChI=1S/C19H26N4O2S/c1-15-3-4-17(16(2)13-15)25-11-10-22-6-8-23(9-7-22)14-18(24)21-19-20-5-12-26-19/h3-5,12-13H,6-11,14H2,1-2H3,(H,20,21,24)
InChIKeyOUAMRGVOXHXWRT-UHFFFAOYSA-N
XLogP2.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90643647) is 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OUAMRGVOXHXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-3-4-17(16(2)13-15)25-11-10-22-6-8-23(9-7-22)14-18(24)21-19-20-5-12-26-19/h3-5,12-13H,6-11,14H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90643647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).