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

C11H6N4O5S — CID 63851554

IUPAC5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C11H6N4O5S/c16-10(17)6-3-7(5-12-4-6)20-8-9(15(18)19)14-1-2-21-11(14)13-8/h1-5H,(H,16,17)
InChIKeyMZPLQCAUGMPZML-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.19
Rot. Bonds4

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

5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid (PubChem CID 63851554) has the molecular formula C11H6N4O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid
PubChem CID63851554
Molecular FormulaC11H6N4O5S
Molecular Weight306.26 g/mol
Exact Mass306.01
IUPAC Name5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C11H6N4O5S/c16-10(17)6-3-7(5-12-4-6)20-8-9(15(18)19)14-1-2-21-11(14)13-8/h1-5H,(H,16,17)
InChIKeyMZPLQCAUGMPZML-UHFFFAOYSA-N
XLogP2.19
TPSA119.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid (CID 63851554) is 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid is O=C(O)c1cncc(Oc2nc3sccn3c2[N+](=O)[O-])c1.
What is the InChIKey of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid?
The InChIKey is MZPLQCAUGMPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O5S/c16-10(17)6-3-7(5-12-4-6)20-8-9(15(18)19)14-1-2-21-11(14)13-8/h1-5H,(H,16,17).
What are the key properties of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid?
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid has a molecular weight of 306.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63851554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).