4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

C15H27N3S — CID 64978673

IUPAC4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCCC1CN(Cc2csc(C(C)C)n2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-5-12-8-18(14(6-2)7-16-12)9-13-10-19-15(17-13)11(3)4/h10-12,14,16H,5-9H2,1-4H3
InChIKeySBLCULVJGFWQBJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.23
Rot. Bonds5

About 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 64978673) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID64978673
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCCC1CN(Cc2csc(C(C)C)n2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-5-12-8-18(14(6-2)7-16-12)9-13-10-19-15(17-13)11(3)4/h10-12,14,16H,5-9H2,1-4H3
InChIKeySBLCULVJGFWQBJ-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 64978789
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
CID 64978692
1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043590

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (CID 64978673) is 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is CCC1CN(Cc2csc(C(C)C)n2)C(CC)CN1.
What is the InChIKey of 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is SBLCULVJGFWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12-8-18(14(6-2)7-16-12)9-13-10-19-15(17-13)11(3)4/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 64978673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).