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'}

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Related Compounds

[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442
6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine
CID 166214220
5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
CID 63852590
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888

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).