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

C9H6N4O3S — CID 82382858

IUPAC4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1csc2ncc(-c3nonc3C(=O)O)n12
InChIInChI=1S/C9H6N4O3S/c1-4-3-17-9-10-2-5(13(4)9)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15)
InChIKeyAPSPKYDIRHUWGE-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.45
Rot. Bonds2

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

4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82382858) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82382858
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1csc2ncc(-c3nonc3C(=O)O)n12
InChIInChI=1S/C9H6N4O3S/c1-4-3-17-9-10-2-5(13(4)9)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15)
InChIKeyAPSPKYDIRHUWGE-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-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382857
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-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
CID 82383565
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82382858) is 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cc1csc2ncc(-c3nonc3C(=O)O)n12.
What is the InChIKey of 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is APSPKYDIRHUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c1-4-3-17-9-10-2-5(13(4)9)6-7(8(14)15)12-16-11-6/h2-3H,1H3,(H,14,15).
What are the key properties of 4-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(3-methylimidazo[2,1-b][1,3]thiazol-5-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-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82382858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).