6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole

C16H10N4O2S — CID 139236701

IUPAC6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(-c2cn3c(-c4cccnc4)csc3n2)cc1
InChIInChI=1S/C16H10N4O2S/c21-20(22)13-5-3-11(4-6-13)14-9-19-15(10-23-16(19)18-14)12-2-1-7-17-8-12/h1-10H
InChIKeyUHYICPGHAJKZCB-UHFFFAOYSA-N
MW322.35 g/mol
LogP4.03
Rot. Bonds3

About 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole

6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 139236701) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole
PubChem CID139236701
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(-c2cn3c(-c4cccnc4)csc3n2)cc1
InChIInChI=1S/C16H10N4O2S/c21-20(22)13-5-3-11(4-6-13)14-9-19-15(10-23-16(19)18-14)12-2-1-7-17-8-12/h1-10H
InChIKeyUHYICPGHAJKZCB-UHFFFAOYSA-N
XLogP4.03
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole (CID 139236701) is 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccc(-c2cn3c(-c4cccnc4)csc3n2)cc1.
What is the InChIKey of 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UHYICPGHAJKZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-20(22)13-5-3-11(4-6-13)14-9-19-15(10-23-16(19)18-14)12-2-1-7-17-8-12/h1-10H.
What are the key properties of 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole?
6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 322.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139236701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).