3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C7H6N2O2S — CID 21256471

IUPAC3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1csc2ncc(C(=O)O)n12
InChIInChI=1S/C7H6N2O2S/c1-4-3-12-7-8-2-5(6(10)11)9(4)7/h2-3H,1H3,(H,10,11)
InChIKeyOYOMMXTUBZYEGS-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.40
Rot. Bonds1

About 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 21256471) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID21256471
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1csc2ncc(C(=O)O)n12
InChIInChI=1S/C7H6N2O2S/c1-4-3-12-7-8-2-5(6(10)11)9(4)7/h2-3H,1H3,(H,10,11)
InChIKeyOYOMMXTUBZYEGS-UHFFFAOYSA-N
XLogP1.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 21256471) is 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1csc2ncc(C(=O)O)n12.
What is the InChIKey of 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is OYOMMXTUBZYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-4-3-12-7-8-2-5(6(10)11)9(4)7/h2-3H,1H3,(H,10,11).
What are the key properties of 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 182.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 21256471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).