2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole

C10H17N3S — CID 82673560

IUPAC2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
SMILESCCC1CN(c2nc(C)cs2)CCN1
InChIInChI=1S/C10H17N3S/c1-3-9-6-13(5-4-11-9)10-12-8(2)7-14-10/h7,9,11H,3-6H2,1-2H3
InChIKeyLKPFXHQCTHSNMD-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.64
Rot. Bonds2

About 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole

2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole (PubChem CID 82673560) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
PubChem CID82673560
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
SMILESCCC1CN(c2nc(C)cs2)CCN1
InChIInChI=1S/C10H17N3S/c1-3-9-6-13(5-4-11-9)10-12-8(2)7-14-10/h7,9,11H,3-6H2,1-2H3
InChIKeyLKPFXHQCTHSNMD-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
CID 130542438
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
2-[1-(3-ethyl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64950434
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830
1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine
CID 102807589
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715
3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)piperazine
CID 115565133
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole (CID 82673560) is 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole is CCC1CN(c2nc(C)cs2)CCN1.
What is the InChIKey of 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is LKPFXHQCTHSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-6-13(5-4-11-9)10-12-8(2)7-14-10/h7,9,11H,3-6H2,1-2H3.
What are the key properties of 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole?
2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82673560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).