5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

C12H21N3S — CID 112644864

IUPAC5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(C)CN1Cc1cncs1
InChIInChI=1S/C12H21N3S/c1-4-10-5-14-12(2,3)8-15(10)7-11-6-13-9-16-11/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyDAAVHXQODOAPLE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds3

About 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644864) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644864
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(C)CN1Cc1cncs1
InChIInChI=1S/C12H21N3S/c1-4-10-5-14-12(2,3)8-15(10)7-11-6-13-9-16-11/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyDAAVHXQODOAPLE-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64946367
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979603
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837942
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644864) is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1CNC(C)(C)CN1Cc1cncs1.
What is the InChIKey of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is DAAVHXQODOAPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-10-5-14-12(2,3)8-15(10)7-11-6-13-9-16-11/h6,9-10,14H,4-5,7-8H2,1-3H3.
What are the key properties of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).