8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol

C12H14N4O3S — CID 63770462

IUPAC8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=[N+]([O-])c1c(N2C3CCC2CC(O)C3)nc2sccn12
InChIInChI=1S/C12H14N4O3S/c17-9-5-7-1-2-8(6-9)15(7)10-11(16(18)19)14-3-4-20-12(14)13-10/h3-4,7-9,17H,1-2,5-6H2
InChIKeyXDTLMZNMQAFGTK-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.80
Rot. Bonds2

About 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770462) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770462
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=[N+]([O-])c1c(N2C3CCC2CC(O)C3)nc2sccn12
InChIInChI=1S/C12H14N4O3S/c17-9-5-7-1-2-8(6-9)15(7)10-11(16(18)19)14-3-4-20-12(14)13-10/h3-4,7-9,17H,1-2,5-6H2
InChIKeyXDTLMZNMQAFGTK-UHFFFAOYSA-N
XLogP1.80
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63770462) is 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol is O=[N+]([O-])c1c(N2C3CCC2CC(O)C3)nc2sccn12.
What is the InChIKey of 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XDTLMZNMQAFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c17-9-5-7-1-2-8(6-9)15(7)10-11(16(18)19)14-3-4-20-12(14)13-10/h3-4,7-9,17H,1-2,5-6H2.
What are the key properties of 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 294.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).