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

C17H21ClN4O2S — CID 55483031

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)Nc1nccs1
InChIInChI=1S/C17H21ClN4O2S/c18-14-3-1-2-4-15(14)24-11-10-21-6-8-22(9-7-21)13-16(23)20-17-19-5-12-25-17/h1-5,12H,6-11,13H2,(H,19,20,23)
InChIKeyBQKOISWAMGGQNB-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.43
Rot. Bonds7

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

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 55483031) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID55483031
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)Nc1nccs1
InChIInChI=1S/C17H21ClN4O2S/c18-14-3-1-2-4-15(14)24-11-10-21-6-8-22(9-7-21)13-16(23)20-17-19-5-12-25-17/h1-5,12H,6-11,13H2,(H,19,20,23)
InChIKeyBQKOISWAMGGQNB-UHFFFAOYSA-N
XLogP2.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.43
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-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 55483031) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(CCOc2ccccc2Cl)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BQKOISWAMGGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c18-14-3-1-2-4-15(14)24-11-10-21-6-8-22(9-7-21)13-16(23)20-17-19-5-12-25-17/h1-5,12H,6-11,13H2,(H,19,20,23).
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 2.43, 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-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 55483031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).