2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid

C9H8N2O3S — CID 96604955

IUPAC2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid
SMILESCc1nc2scc(C)n2c1C(=O)C(=O)O
InChIInChI=1S/C9H8N2O3S/c1-4-3-15-9-10-5(2)6(11(4)9)7(12)8(13)14/h3H,1-2H3,(H,13,14)
InChIKeyCWYPOLHQGBMTBB-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.28
Rot. Bonds2

About 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid

2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid (PubChem CID 96604955) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid
PubChem CID96604955
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid
SMILESCc1nc2scc(C)n2c1C(=O)C(=O)O
InChIInChI=1S/C9H8N2O3S/c1-4-3-15-9-10-5(2)6(11(4)9)7(12)8(13)14/h3H,1-2H3,(H,13,14)
InChIKeyCWYPOLHQGBMTBB-UHFFFAOYSA-N
XLogP1.28
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-(methoxymethyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 107511744
3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
CID 82382635
5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole
CID 79322992
3,6-dimethyl-5-[(E)-2-nitrobut-1-enyl]imidazo[2,1-b][1,3]thiazole
CID 55016268
methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
CID 9075334
4-[(2Z)-2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 9012968
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 76997232
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
CID 82364436
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
CID 79323524
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933517

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid?
The IUPAC name of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid (CID 96604955) is 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid is Cc1nc2scc(C)n2c1C(=O)C(=O)O.
What is the InChIKey of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid?
The InChIKey is CWYPOLHQGBMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-3-15-9-10-5(2)6(11(4)9)7(12)8(13)14/h3H,1-2H3,(H,13,14).
What are the key properties of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid?
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid has a molecular weight of 224.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid is sourced from PubChem (CID 96604955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).