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

C10H12N2O2S — CID 3592722

IUPAC3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)(C)c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C10H12N2O2S/c1-10(2,3)7-5-15-9-11-6(8(13)14)4-12(7)9/h4-5H,1-3H3,(H,13,14)
InChIKeyXQVDKPOJYPVQKX-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.39
Rot. Bonds1

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

3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3592722) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3592722
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)(C)c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C10H12N2O2S/c1-10(2,3)7-5-15-9-11-6(8(13)14)4-12(7)9/h4-5H,1-3H3,(H,13,14)
InChIKeyXQVDKPOJYPVQKX-UHFFFAOYSA-N
XLogP2.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3592722) is 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC(C)(C)c1csc2nc(C(=O)O)cn12.
What is the InChIKey of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is XQVDKPOJYPVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-10(2,3)7-5-15-9-11-6(8(13)14)4-12(7)9/h4-5H,1-3H3,(H,13,14).
What are the key properties of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).