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

C12H21N3S — CID 112644884

IUPAC5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CN(Cc2cncs2)C(C)(C)CN1
InChIInChI=1S/C12H21N3S/c1-4-10-6-15(12(2,3)8-14-10)7-11-5-13-9-16-11/h5,9-10,14H,4,6-8H2,1-3H3
InChIKeyOPPBDSSBIHOXIO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds3

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

5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644884) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644884
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CN(Cc2cncs2)C(C)(C)CN1
InChIInChI=1S/C12H21N3S/c1-4-10-6-15(12(2,3)8-14-10)7-11-5-13-9-16-11/h5,9-10,14H,4,6-8H2,1-3H3
InChIKeyOPPBDSSBIHOXIO-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

5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(5-bromo-3-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 104812447
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
CID 64843913
5-[(2,5-diethyl-2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644920
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644875
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole
CID 115979600

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644884) is 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1CN(Cc2cncs2)C(C)(C)CN1.
What is the InChIKey of 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is OPPBDSSBIHOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-10-6-15(12(2,3)8-14-10)7-11-5-13-9-16-11/h5,9-10,14H,4,6-8H2,1-3H3.
What are the key properties of 5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(5-ethyl-2,2-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-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).