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

C11H19N3S — CID 64932333

IUPAC2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CNCCN1C(C)c1nccs1
InChIInChI=1S/C11H19N3S/c1-3-10-8-12-4-6-14(10)9(2)11-13-5-7-15-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyKNEMLNJRHWQCQR-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds3

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

2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64932333) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64932333
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CNCCN1C(C)c1nccs1
InChIInChI=1S/C11H19N3S/c1-3-10-8-12-4-6-14(10)9(2)11-13-5-7-15-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyKNEMLNJRHWQCQR-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64932333) is 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is CCC1CNCCN1C(C)c1nccs1.
What is the InChIKey of 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is KNEMLNJRHWQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-10-8-12-4-6-14(10)9(2)11-13-5-7-15-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64932333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).