5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

C16H29N3S — CID 64947244

IUPAC5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(CC)CN1
InChIInChI=1S/C16H29N3S/c1-6-8-14-10-19(15(7-2)9-17-14)12(4)16-11(3)18-13(5)20-16/h12,14-15,17H,6-10H2,1-5H3
InChIKeyKIUKPJYQHMGBAS-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.67
Rot. Bonds5

About 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 64947244) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID64947244
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(CC)CN1
InChIInChI=1S/C16H29N3S/c1-6-8-14-10-19(15(7-2)9-17-14)12(4)16-11(3)18-13(5)20-16/h12,14-15,17H,6-10H2,1-5H3
InChIKeyKIUKPJYQHMGBAS-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (CID 64947244) is 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is CCCC1CN(C(C)c2sc(C)nc2C)C(CC)CN1.
What is the InChIKey of 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is KIUKPJYQHMGBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-8-14-10-19(15(7-2)9-17-14)12(4)16-11(3)18-13(5)20-16/h12,14-15,17H,6-10H2,1-5H3.
What are the key properties of 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 64947244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).