2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole

C21H31N3OS — CID 57388883

IUPAC2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
SMILESCCc1ccc(OCCCCCCN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C21H31N3OS/c1-2-19-7-9-20(10-8-19)25-17-6-4-3-5-12-23-13-15-24(16-14-23)21-22-11-18-26-21/h7-11,18H,2-6,12-17H2,1H3
InChIKeyYMSIJXJTHCNQOA-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.47
Rot. Bonds10

About 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole

2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 57388883) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
PubChem CID57388883
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Name2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
SMILESCCc1ccc(OCCCCCCN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C21H31N3OS/c1-2-19-7-9-20(10-8-19)25-17-6-4-3-5-12-23-13-15-24(16-14-23)21-22-11-18-26-21/h7-11,18H,2-6,12-17H2,1H3
InChIKeyYMSIJXJTHCNQOA-UHFFFAOYSA-N
XLogP4.47
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-(4-propan-2-ylphenoxy)pentyl]piperazin-1-yl]-1,3-thiazole
CID 57388879
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole
CID 71897059
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
CID 63568871
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole (CID 57388883) is 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole is CCc1ccc(OCCCCCCN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is YMSIJXJTHCNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-2-19-7-9-20(10-8-19)25-17-6-4-3-5-12-23-13-15-24(16-14-23)21-22-11-18-26-21/h7-11,18H,2-6,12-17H2,1H3.
What are the key properties of 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 373.57 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 57388883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).