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

C12H21N3S — CID 106043580

IUPAC4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C)NCC2C)cs1
InChIInChI=1S/C12H21N3S/c1-9-7-15(10(2)6-13-9)5-4-12-8-16-11(3)14-12/h8-10,13H,4-7H2,1-3H3
InChIKeyVTOUDGGWYDPOAZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.68
Rot. Bonds3

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

4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043580) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID106043580
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C)NCC2C)cs1
InChIInChI=1S/C12H21N3S/c1-9-7-15(10(2)6-13-9)5-4-12-8-16-11(3)14-12/h8-10,13H,4-7H2,1-3H3
InChIKeyVTOUDGGWYDPOAZ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64936843
2-methyl-4-[2-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 106043593
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043590
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120906277
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 124752649
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (CID 106043580) is 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CC(C)NCC2C)cs1.
What is the InChIKey of 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is VTOUDGGWYDPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-7-15(10(2)6-13-9)5-4-12-8-16-11(3)14-12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).