2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole

C19H21N3OS — CID 71897059

IUPAC2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole
SMILESc1ccc2cc(OCCN3CCN(c4nccs4)CC3)ccc2c1
InChIInChI=1S/C19H21N3OS/c1-2-4-17-15-18(6-5-16(17)3-1)23-13-12-21-8-10-22(11-9-21)19-20-7-14-24-19/h1-7,14-15H,8-13H2
InChIKeyJYDFEWXWBUIWMW-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 71897059) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID71897059
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole
SMILESc1ccc2cc(OCCN3CCN(c4nccs4)CC3)ccc2c1
InChIInChI=1S/C19H21N3OS/c1-2-4-17-15-18(6-5-16(17)3-1)23-13-12-21-8-10-22(11-9-21)19-20-7-14-24-19/h1-7,14-15H,8-13H2
InChIKeyJYDFEWXWBUIWMW-UHFFFAOYSA-N
XLogP3.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(4-propan-2-ylphenoxy)pentyl]piperazin-1-yl]-1,3-thiazole
CID 57388879
2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
CID 57388883
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 155803097
1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 51312086
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
CID 62573949
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole (CID 71897059) is 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole is c1ccc2cc(OCCN3CCN(c4nccs4)CC3)ccc2c1.
What is the InChIKey of 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is JYDFEWXWBUIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-4-17-15-18(6-5-16(17)3-1)23-13-12-21-8-10-22(11-9-21)19-20-7-14-24-19/h1-7,14-15H,8-13H2.
What are the key properties of 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 339.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 71897059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).