2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole

C17H24N4OS — CID 120754439

IUPAC2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C17H24N4OS/c1-3-22-13(2)17-20-15(12-23-17)11-21-8-7-19-10-16(21)14-5-4-6-18-9-14/h4-6,9,12-13,16,19H,3,7-8,10-11H2,1-2H3
InChIKeyDTZUPQIVIMYRAJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.78
Rot. Bonds6

About 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120754439) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120754439
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C17H24N4OS/c1-3-22-13(2)17-20-15(12-23-17)11-21-8-7-19-10-16(21)14-5-4-6-18-9-14/h4-6,9,12-13,16,19H,3,7-8,10-11H2,1-2H3
InChIKeyDTZUPQIVIMYRAJ-UHFFFAOYSA-N
XLogP2.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 120754702
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 120754893
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120754439) is 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCNCC2c2cccnc2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is DTZUPQIVIMYRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-22-13(2)17-20-15(12-23-17)11-21-8-7-19-10-16(21)14-5-4-6-18-9-14/h4-6,9,12-13,16,19H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120754439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).