2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C9H8N2O3S — CID 75481432

IUPAC2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(=O)c1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H8N2O3S/c1-4-7(5(2)12)15-9-10-6(8(13)14)3-11(4)9/h3H,1-2H3,(H,13,14)
InChIKeyQDGRKBQACGKAES-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.61
Rot. Bonds2

About 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 75481432) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID75481432
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(=O)c1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H8N2O3S/c1-4-7(5(2)12)15-9-10-6(8(13)14)3-11(4)9/h3H,1-2H3,(H,13,14)
InChIKeyQDGRKBQACGKAES-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 75481432) is 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC(=O)c1sc2nc(C(=O)O)cn2c1C.
What is the InChIKey of 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is QDGRKBQACGKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-7(5(2)12)15-9-10-6(8(13)14)3-11(4)9/h3H,1-2H3,(H,13,14).
What are the key properties of 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 75481432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).