2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

C15H19N3OS — CID 110109340

IUPAC2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(C2CNCCN2Cc2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-19-13-4-2-12(3-5-13)14-10-16-6-8-18(14)11-15-17-7-9-20-15/h2-5,7,9,14,16H,6,8,10-11H2,1H3
InChIKeyUEFYZNLMYDWBBJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.30
Rot. Bonds4

About 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 110109340) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID110109340
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(C2CNCCN2Cc2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-19-13-4-2-12(3-5-13)14-10-16-6-8-18(14)11-15-17-7-9-20-15/h2-5,7,9,14,16H,6,8,10-11H2,1H3
InChIKeyUEFYZNLMYDWBBJ-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 110109340) is 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is COc1ccc(C2CNCCN2Cc2nccs2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UEFYZNLMYDWBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-13-4-2-12(3-5-13)14-10-16-6-8-18(14)11-15-17-7-9-20-15/h2-5,7,9,14,16H,6,8,10-11H2,1H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110109340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).