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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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).