6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H16N2O2S — CID 83085807

IUPAC6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1sc2nc(C(C)(C)C)c(C(=O)O)n2c1C
InChIInChI=1S/C12H16N2O2S/c1-6-7(2)17-11-13-9(12(3,4)5)8(10(15)16)14(6)11/h1-5H3,(H,15,16)
InChIKeyBDOURBPSNQONNS-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.01
Rot. Bonds1

About 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 83085807) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID83085807
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1sc2nc(C(C)(C)C)c(C(=O)O)n2c1C
InChIInChI=1S/C12H16N2O2S/c1-6-7(2)17-11-13-9(12(3,4)5)8(10(15)16)14(6)11/h1-5H3,(H,15,16)
InChIKeyBDOURBPSNQONNS-UHFFFAOYSA-N
XLogP3.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 83085807) is 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1sc2nc(C(C)(C)C)c(C(=O)O)n2c1C.
What is the InChIKey of 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is BDOURBPSNQONNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-6-7(2)17-11-13-9(12(3,4)5)8(10(15)16)14(6)11/h1-5H3,(H,15,16).
What are the key properties of 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 252.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 83085807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).