3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid

C8H4N4O3S — CID 82378066

IUPAC3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2csc3nccn23)no1
InChIInChI=1S/C8H4N4O3S/c13-7(14)6-10-5(11-15-6)4-3-16-8-9-1-2-12(4)8/h1-3H,(H,13,14)
InChIKeyBKWPQNBWZJMUKB-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.14
Rot. Bonds2

About 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid

3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378066) has the molecular formula C8H4N4O3S and a molecular weight of 236.21 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378066
Molecular FormulaC8H4N4O3S
Molecular Weight236.21 g/mol
Exact Mass236.00
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2csc3nccn23)no1
InChIInChI=1S/C8H4N4O3S/c13-7(14)6-10-5(11-15-6)4-3-16-8-9-1-2-12(4)8/h1-3H,(H,13,14)
InChIKeyBKWPQNBWZJMUKB-UHFFFAOYSA-N
XLogP1.14
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 96590921
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378064
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378082
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378053
3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378075
2-imidazo[2,1-b][1,3]thiazol-3-yl-N,N-dimethylacetamide
CID 84588311
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 42623423

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid (CID 82378066) is 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(-c2csc3nccn23)no1.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is BKWPQNBWZJMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O3S/c13-7(14)6-10-5(11-15-6)4-3-16-8-9-1-2-12(4)8/h1-3H,(H,13,14).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid?
3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 236.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).