5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid

C9H6N4O3S — CID 82382862

IUPAC5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cnc3sccn23)c1C(=O)O
InChIInChI=1S/C9H6N4O3S/c10-7-5(8(14)15)6(12-16-7)4-3-11-9-13(4)1-2-17-9/h1-3H,10H2,(H,14,15)
InChIKeyYLMZRIZAOOGJLZ-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.33
Rot. Bonds2

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

5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 82382862) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid
PubChem CID82382862
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cnc3sccn23)c1C(=O)O
InChIInChI=1S/C9H6N4O3S/c10-7-5(8(14)15)6(12-16-7)4-3-11-9-13(4)1-2-17-9/h1-3H,10H2,(H,14,15)
InChIKeyYLMZRIZAOOGJLZ-UHFFFAOYSA-N
XLogP1.33
TPSA106.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid (CID 82382862) is 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid is Nc1onc(-c2cnc3sccn23)c1C(=O)O.
What is the InChIKey of 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is YLMZRIZAOOGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c10-7-5(8(14)15)6(12-16-7)4-3-11-9-13(4)1-2-17-9/h1-3H,10H2,(H,14,15).
What are the key properties of 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid?
5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-imidazo[2,1-b][1,3]thiazol-5-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82382862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).