6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H16N4O2S — CID 43475765

IUPAC6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C12H16N4O2S/c1-2-14-3-5-15(6-4-14)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyRQBLPAKGYSHBLV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds3

About 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 43475765) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID43475765
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C12H16N4O2S/c1-2-14-3-5-15(6-4-14)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyRQBLPAKGYSHBLV-UHFFFAOYSA-N
XLogP1.24
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62993454
[6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476364
6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113335844
6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475795
6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63607673
6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 55078781
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
2-[4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887757
6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 64780586

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 43475765) is 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCN1CCN(c2nc3sccn3c2C(=O)O)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is RQBLPAKGYSHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-14-3-5-15(6-4-14)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 43475765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).