4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole

C13H23N3S — CID 64941412

IUPAC4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(CC)CN1Cc1cscn1
InChIInChI=1S/C13H23N3S/c1-4-12-6-15-13(3,5-2)9-16(12)7-11-8-17-10-14-11/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyWLABZZVBAQFNLG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.50
Rot. Bonds4

About 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole

4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64941412) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64941412
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(CC)CN1Cc1cscn1
InChIInChI=1S/C13H23N3S/c1-4-12-6-15-13(3,5-2)9-16(12)7-11-8-17-10-14-11/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyWLABZZVBAQFNLG-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64940443
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64948112
2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
CID 105375725
2,5-diethyl-1-[(1-ethylcyclopropyl)methyl]-5-methylpiperazine
CID 114102157
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64941412) is 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1CNC(C)(CC)CN1Cc1cscn1.
What is the InChIKey of 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is WLABZZVBAQFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-12-6-15-13(3,5-2)9-16(12)7-11-8-17-10-14-11/h8,10,12,15H,4-7,9H2,1-3H3.
What are the key properties of 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64941412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).