4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid

C11H6N4O4S2 — CID 79561861

IUPAC4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2nc3sccn3c2[N+](=O)[O-])ccn1
InChIInChI=1S/C11H6N4O4S2/c16-10(17)7-5-6(1-2-12-7)21-8-9(15(18)19)14-3-4-20-11(14)13-8/h1-5H,(H,16,17)
InChIKeyHWJNHOZAUGOSHN-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.55
Rot. Bonds4

About 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid

4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 79561861) has the molecular formula C11H6N4O4S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID79561861
Molecular FormulaC11H6N4O4S2
Molecular Weight322.33 g/mol
Exact Mass321.98
IUPAC Name4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2nc3sccn3c2[N+](=O)[O-])ccn1
InChIInChI=1S/C11H6N4O4S2/c16-10(17)7-5-6(1-2-12-7)21-8-9(15(18)19)14-3-4-20-11(14)13-8/h1-5H,(H,16,17)
InChIKeyHWJNHOZAUGOSHN-UHFFFAOYSA-N
XLogP2.55
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid (CID 79561861) is 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1cc(Sc2nc3sccn3c2[N+](=O)[O-])ccn1.
What is the InChIKey of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is HWJNHOZAUGOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O4S2/c16-10(17)7-5-6(1-2-12-7)21-8-9(15(18)19)14-3-4-20-11(14)13-8/h1-5H,(H,16,17).
What are the key properties of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid?
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 322.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).