2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C15H9N5O3S — CID 133462587

IUPAC2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESO=[N+]([O-])c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C15H9N5O3S/c21-20(22)11-3-5-12(6-4-11)23-15-18-19-9-13(17-14(19)24-15)10-2-1-7-16-8-10/h1-9H
InChIKeyKWZVBYIPPKPQDE-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133462587) has the molecular formula C15H9N5O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133462587
Molecular FormulaC15H9N5O3S
Molecular Weight339.34 g/mol
Exact Mass339.04
IUPAC Name2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESO=[N+]([O-])c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C15H9N5O3S/c21-20(22)11-3-5-12(6-4-11)23-15-18-19-9-13(17-14(19)24-15)10-2-1-7-16-8-10/h1-9H
InChIKeyKWZVBYIPPKPQDE-UHFFFAOYSA-N
XLogP3.55
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
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

2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
CID 47277082
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
CID 133462861
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133493825
2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 4173731
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566488
6-(4-nitrophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209503
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 133462587) is 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is O=[N+]([O-])c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KWZVBYIPPKPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O3S/c21-20(22)11-3-5-12(6-4-11)23-15-18-19-9-13(17-14(19)24-15)10-2-1-7-16-8-10/h1-9H.
What are the key properties of 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 339.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133462587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).