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

C17H23N3OS — CID 120767480

IUPAC5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1cnc(CN2CCNCC2c2ccccc2OC)s1
InChIInChI=1S/C17H23N3OS/c1-3-13-10-19-17(22-13)12-20-9-8-18-11-15(20)14-6-4-5-7-16(14)21-2/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3
InChIKeyOXEJNKOMYKNKRM-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.86
Rot. Bonds5

About 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 120767480) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID120767480
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1cnc(CN2CCNCC2c2ccccc2OC)s1
InChIInChI=1S/C17H23N3OS/c1-3-13-10-19-17(22-13)12-20-9-8-18-11-15(20)14-6-4-5-7-16(14)21-2/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3
InChIKeyOXEJNKOMYKNKRM-UHFFFAOYSA-N
XLogP2.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120846372
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120767400
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 120767480) is 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is CCc1cnc(CN2CCNCC2c2ccccc2OC)s1.
What is the InChIKey of 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OXEJNKOMYKNKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-13-10-19-17(22-13)12-20-9-8-18-11-15(20)14-6-4-5-7-16(14)21-2/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3.
What are the key properties of 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120767480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).