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

C15H27N3S — CID 112644850

IUPAC5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(CC)(CC)CN1
InChIInChI=1S/C15H27N3S/c1-4-7-13-9-18(10-14-8-16-12-19-14)15(5-2,6-3)11-17-13/h8,12-13,17H,4-7,9-11H2,1-3H3
InChIKeyJDNJIORSRXHQKM-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.28
Rot. Bonds6

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

5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644850) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644850
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(CC)(CC)CN1
InChIInChI=1S/C15H27N3S/c1-4-7-13-9-18(10-14-8-16-12-19-14)15(5-2,6-3)11-17-13/h8,12-13,17H,4-7,9-11H2,1-3H3
InChIKeyJDNJIORSRXHQKM-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644846
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
5-[(2,5-diethyl-2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644920
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644850) is 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is CCCC1CN(Cc2cncs2)C(CC)(CC)CN1.
What is the InChIKey of 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is JDNJIORSRXHQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-7-13-9-18(10-14-8-16-12-19-14)15(5-2,6-3)11-17-13/h8,12-13,17H,4-7,9-11H2,1-3H3.
What are the key properties of 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).