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

C12H21N3S — CID 64936843

IUPAC2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCN2CC(C)NCC2C)n1
InChIInChI=1S/C12H21N3S/c1-9-7-15(11(3)6-13-9)5-4-12-14-10(2)8-16-12/h8-9,11,13H,4-7H2,1-3H3
InChIKeyXTVKZXOZHKRFIY-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.68
Rot. Bonds3

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

2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (PubChem CID 64936843) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
PubChem CID64936843
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCN2CC(C)NCC2C)n1
InChIInChI=1S/C12H21N3S/c1-9-7-15(11(3)6-13-9)5-4-12-14-10(2)8-16-12/h8-9,11,13H,4-7H2,1-3H3
InChIKeyXTVKZXOZHKRFIY-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

4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043580
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
N,2,3-trimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79406895
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
CID 64945713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (CID 64936843) is 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is Cc1csc(CCN2CC(C)NCC2C)n1.
What is the InChIKey of 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The InChIKey is XTVKZXOZHKRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-7-15(11(3)6-13-9)5-4-12-14-10(2)8-16-12/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-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 2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64936843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).