3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid

C9H5N3O3S — CID 82373610

IUPAC3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cn3ccsc3n2)no1
InChIInChI=1S/C9H5N3O3S/c13-8(14)7-3-5(11-15-7)6-4-12-1-2-16-9(12)10-6/h1-4H,(H,13,14)
InChIKeyVANCVLLWAYOYRK-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.75
Rot. Bonds2

About 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid

3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 82373610) has the molecular formula C9H5N3O3S and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid
PubChem CID82373610
Molecular FormulaC9H5N3O3S
Molecular Weight235.22 g/mol
Exact Mass235.01
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cn3ccsc3n2)no1
InChIInChI=1S/C9H5N3O3S/c13-8(14)7-3-5(11-15-7)6-4-12-1-2-16-9(12)10-6/h1-4H,(H,13,14)
InChIKeyVANCVLLWAYOYRK-UHFFFAOYSA-N
XLogP1.75
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid (CID 82373610) is 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cn3ccsc3n2)no1.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is VANCVLLWAYOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O3S/c13-8(14)7-3-5(11-15-7)6-4-12-1-2-16-9(12)10-6/h1-4H,(H,13,14).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid?
3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]thiazol-6-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).