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

C15H27N3S — CID 106043590

IUPAC4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCCCC1CN(CCc2csc(C)n2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-4-6-13-10-18(15(5-2)9-16-13)8-7-14-11-19-12(3)17-14/h11,13,15-16H,4-10H2,1-3H3
InChIKeyYUDAYLZAZSKGGG-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.85
Rot. Bonds6

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

4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043590) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID106043590
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCCCC1CN(CCc2csc(C)n2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-4-6-13-10-18(15(5-2)9-16-13)8-7-14-11-19-12(3)17-14/h11,13,15-16H,4-10H2,1-3H3
InChIKeyYUDAYLZAZSKGGG-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (CID 106043590) is 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is CCCC1CN(CCc2csc(C)n2)C(CC)CN1.
What is the InChIKey of 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is YUDAYLZAZSKGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-6-13-10-18(15(5-2)9-16-13)8-7-14-11-19-12(3)17-14/h11,13,15-16H,4-10H2,1-3H3.
What are the key properties of 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).