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

C11H12N4O3S — CID 63607673

IUPAC6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC1C(=O)NCCN1c1nc2sccn2c1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-6-9(16)12-2-3-14(6)8-7(10(17)18)15-4-5-19-11(15)13-8/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18)
InChIKeyNLOBVJRUCGTRLR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.42
Rot. Bonds2

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

6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 63607673) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID63607673
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC1C(=O)NCCN1c1nc2sccn2c1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-6-9(16)12-2-3-14(6)8-7(10(17)18)15-4-5-19-11(15)13-8/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18)
InChIKeyNLOBVJRUCGTRLR-UHFFFAOYSA-N
XLogP0.42
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63608220
6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765
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-(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
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80570135
5-bromo-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606105
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione
CID 66063544
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 55078781
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 114460458

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 63607673) is 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CC1C(=O)NCCN1c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is NLOBVJRUCGTRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-9(16)12-2-3-14(6)8-7(10(17)18)15-4-5-19-11(15)13-8/h4-6H,2-3H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 63607673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).