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

C10H7N3O3S — CID 82373611

IUPAC3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)on2)nc2sccn12
InChIInChI=1S/C10H7N3O3S/c1-5-8(11-10-13(5)2-3-17-10)6-4-7(9(14)15)16-12-6/h2-4H,1H3,(H,14,15)
InChIKeyQXPOTSUMPWPKNV-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.06
Rot. Bonds2

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

3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82373611) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID82373611
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)on2)nc2sccn12
InChIInChI=1S/C10H7N3O3S/c1-5-8(11-10-13(5)2-3-17-10)6-4-7(9(14)15)16-12-6/h2-4H,1H3,(H,14,15)
InChIKeyQXPOTSUMPWPKNV-UHFFFAOYSA-N
XLogP2.06
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid (CID 82373611) is 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid is Cc1c(-c2cc(C(=O)O)on2)nc2sccn12.
What is the InChIKey of 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is QXPOTSUMPWPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c1-5-8(11-10-13(5)2-3-17-10)6-4-7(9(14)15)16-12-6/h2-4H,1H3,(H,14,15).
What are the key properties of 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid?
3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).