2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C18H24N4O2S — CID 1443637

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-24-16-7-5-4-6-15(16)22-10-8-21(9-11-22)13-17(23)20-18-19-12-14(2)25-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,20,23)
InChIKeyDDZJMRALMOTMLF-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1443637) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1443637
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-3-24-16-7-5-4-6-15(16)22-10-8-21(9-11-22)13-17(23)20-18-19-12-14(2)25-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,20,23)
InChIKeyDDZJMRALMOTMLF-UHFFFAOYSA-N
XLogP2.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 1443637) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ncc(C)s2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DDZJMRALMOTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-24-16-7-5-4-6-15(16)22-10-8-21(9-11-22)13-17(23)20-18-19-12-14(2)25-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1443637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).