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

C8H8N2O2S — CID 55250632

IUPAC3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cn2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C8H8N2O2S/c1-4-3-10-5(2)6(7(11)12)13-8(10)9-4/h3H,1-2H3,(H,11,12)
InChIKeyZQIWTYDLWOKQQZ-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.71
Rot. Bonds1

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

3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 55250632) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID55250632
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cn2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C8H8N2O2S/c1-4-3-10-5(2)6(7(11)12)13-8(10)9-4/h3H,1-2H3,(H,11,12)
InChIKeyZQIWTYDLWOKQQZ-UHFFFAOYSA-N
XLogP1.71
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 55250632) is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1cn2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is ZQIWTYDLWOKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-3-10-5(2)6(7(11)12)13-8(10)9-4/h3H,1-2H3,(H,11,12).
What are the key properties of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 55250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).