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

C13H23N3S — CID 64947439

IUPAC5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1CNC(C)(C)CN1Cc1cnc(C)s1
InChIInChI=1S/C13H23N3S/c1-5-11-6-15-13(3,4)9-16(11)8-12-7-14-10(2)17-12/h7,11,15H,5-6,8-9H2,1-4H3
InChIKeyRBXJFQBWXKJXDB-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.41
Rot. Bonds3

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

5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 64947439) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID64947439
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1CNC(C)(C)CN1Cc1cnc(C)s1
InChIInChI=1S/C13H23N3S/c1-5-11-6-15-13(3,4)9-16(11)8-12-7-14-10(2)17-12/h7,11,15H,5-6,8-9H2,1-4H3
InChIKeyRBXJFQBWXKJXDB-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
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-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64837936
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (CID 64947439) is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is CCC1CNC(C)(C)CN1Cc1cnc(C)s1.
What is the InChIKey of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is RBXJFQBWXKJXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-11-6-15-13(3,4)9-16(11)8-12-7-14-10(2)17-12/h7,11,15H,5-6,8-9H2,1-4H3.
What are the key properties of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.41, 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]-2-methyl-1,3-thiazole is sourced from PubChem (CID 64947439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).