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

C14H25N3S — CID 64939479

IUPAC4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCC1CNC(CC(C)C)CN1Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-4-14-6-15-12(5-11(2)3)7-17(14)8-13-9-18-10-16-13/h9-12,14-15H,4-8H2,1-3H3
InChIKeyPAFCENHSOANJPA-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.74
Rot. Bonds5

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

4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 64939479) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID64939479
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCC1CNC(CC(C)C)CN1Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-4-14-6-15-12(5-11(2)3)7-17(14)8-13-9-18-10-16-13/h9-12,14-15H,4-8H2,1-3H3
InChIKeyPAFCENHSOANJPA-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64941412
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
CID 64849303
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 64939479) is 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole is CCC1CNC(CC(C)C)CN1Cc1cscn1.
What is the InChIKey of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PAFCENHSOANJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-14-6-15-12(5-11(2)3)7-17(14)8-13-9-18-10-16-13/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole?
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 64939479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).