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

C8H4N4O3S — CID 82389289

IUPAC4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1-c1cn2ccsc2n1
InChIInChI=1S/C8H4N4O3S/c13-7(14)6-5(10-15-11-6)4-3-12-1-2-16-8(12)9-4/h1-3H,(H,13,14)
InChIKeyTVRBWAIITKVFMK-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.14
Rot. Bonds2

About 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid

4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82389289) has the molecular formula C8H4N4O3S and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82389289
Molecular FormulaC8H4N4O3S
Molecular Weight236.21 g/mol
Exact Mass236.00
IUPAC Name4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1-c1cn2ccsc2n1
InChIInChI=1S/C8H4N4O3S/c13-7(14)6-5(10-15-11-6)4-3-12-1-2-16-8(12)9-4/h1-3H,(H,13,14)
InChIKeyTVRBWAIITKVFMK-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

4-Imidazo[2,1-b][1,3]thiazol-5-yl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373642
4-Imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373643
5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid
CID 82377862
5-Imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid
CID 82382545
5-Imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid
CID 82382546
4-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382857
4-(3-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382858
4-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382859
4-(2-Methylimidazo[2,1-b][1,3]thiazol-3-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382860
4-(5-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382861
5-Amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid
CID 82382862
3-Imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid
CID 82383564

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid (CID 82389289) is 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid is O=C(O)c1nonc1-c1cn2ccsc2n1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is TVRBWAIITKVFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O3S/c13-7(14)6-5(10-15-11-6)4-3-12-1-2-16-8(12)9-4/h1-3H,(H,13,14).
What are the key properties of 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid?
4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-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 4-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82389289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).