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

C8H8N2O2S — CID 55265116

IUPAC3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1csc2nc(C(=O)O)cn12
InChIInChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyCTFKAWCRHKRICT-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.66
Rot. Bonds2

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

3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 55265116) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID55265116
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1csc2nc(C(=O)O)cn12
InChIInChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyCTFKAWCRHKRICT-UHFFFAOYSA-N
XLogP1.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 55265116) is 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCc1csc2nc(C(=O)O)cn12.
What is the InChIKey of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is CTFKAWCRHKRICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 55265116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).