2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

C15H19N3S — CID 64932331

IUPAC2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCNCC1c1ccccc1
InChIInChI=1S/C15H19N3S/c1-12(15-17-8-10-19-15)18-9-7-16-11-14(18)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3
InChIKeyDWEJZONOWLDWMO-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.85
Rot. Bonds3

About 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64932331) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64932331
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCNCC1c1ccccc1
InChIInChI=1S/C15H19N3S/c1-12(15-17-8-10-19-15)18-9-7-16-11-14(18)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3
InChIKeyDWEJZONOWLDWMO-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932333
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
1-(3-ethylpentan-2-yl)-2-phenylpiperazine
CID 64930340
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64932330
2-phenyl-1-propan-2-yl-1,4-diazepane
CID 82242017
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64941668
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
2-(2-phenylpiperazin-1-yl)pyrimidine
CID 54474216
(2S)-1,2-dimethyl-6-phenylpiperazine
CID 82403795
2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 171137903
2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64939348

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64932331) is 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is CC(c1nccs1)N1CCNCC1c1ccccc1.
What is the InChIKey of 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is DWEJZONOWLDWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12(15-17-8-10-19-15)18-9-7-16-11-14(18)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3.
What are the key properties of 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 273.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64932331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).