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

C9H6N4O3S — CID 82382857

IUPAC4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)nc2s1
InChIInChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15)
InChIKeyAPIQRCYQVFTUNF-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.45
Rot. Bonds2

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

4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82382857) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82382857
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)nc2s1
InChIInChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15)
InChIKeyAPIQRCYQVFTUNF-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

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Related Compounds

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
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
4-(2,7-Dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384111
4-Imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
CID 82389289
5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
CID 82389821
4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82390172
4-(7-Methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82390173
5-(3-Methylimidazol-4-yl)-1-(1,3-thiazol-4-ylmethyl)triazole-4-carboxylic acid
CID 103115526

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82382857) is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cc1cn2cc(-c3nonc3C(=O)O)nc2s1.
What is the InChIKey of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is APIQRCYQVFTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c1-4-2-13-3-5(10-9(13)17-4)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15).
What are the key properties of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-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 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82382857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).