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

C9H6N4O3S — CID 82378064

IUPAC3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)nc2s1
InChIInChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-11-7(8(14)15)16-12-6/h2-3H,1H3,(H,14,15)
InChIKeyLBNIMAHSVAFEFN-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.45
Rot. Bonds2

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

3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378064) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378064
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)nc2s1
InChIInChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-11-7(8(14)15)16-12-6/h2-3H,1H3,(H,14,15)
InChIKeyLBNIMAHSVAFEFN-UHFFFAOYSA-N
XLogP1.45
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid with MolForge

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Related Compounds

3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378072
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
CID 164581256
3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378075
3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378082
[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
CID 66587343
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
CID 56777014
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 82378066
2-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 164581246
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 82378064) is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is Cc1cn2cc(-c3noc(C(=O)O)n3)nc2s1.
What is the InChIKey of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is LBNIMAHSVAFEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-11-7(8(14)15)16-12-6/h2-3H,1H3,(H,14,15).
What are the key properties of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).