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

C15H27N3S — CID 112644847

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

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

5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 112644847) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID112644847
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(CC(C)C)CN1
InChIInChI=1S/C15H27N3S/c1-4-5-13-9-18(10-15-8-16-11-19-15)14(7-17-13)6-12(2)3/h8,11-14,17H,4-7,9-10H2,1-3H3
InChIKeyWVHJLFKGWYBHAF-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
2-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-5-propylpiperazine
CID 64838798

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole (CID 112644847) is 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole is CCCC1CN(Cc2cncs2)C(CC(C)C)CN1.
What is the InChIKey of 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WVHJLFKGWYBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-5-13-9-18(10-15-8-16-11-19-15)14(7-17-13)6-12(2)3/h8,11-14,17H,4-7,9-10H2,1-3H3.
What are the key properties of 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole?
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 112644847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).