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

C12H15N5O2S — CID 61230649

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CC3CCC(C2)N3)nc2sccn12
InChIInChI=1S/C12H15N5O2S/c18-17(19)11-10(15-12-16(11)3-4-20-12)14-9-5-7-1-2-8(6-9)13-7/h3-4,7-9,13-14H,1-2,5-6H2
InChIKeyWZYIJSJEKJJXFM-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.00
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 61230649) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID61230649
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CC3CCC(C2)N3)nc2sccn12
InChIInChI=1S/C12H15N5O2S/c18-17(19)11-10(15-12-16(11)3-4-20-12)14-9-5-7-1-2-8(6-9)13-7/h3-4,7-9,13-14H,1-2,5-6H2
InChIKeyWZYIJSJEKJJXFM-UHFFFAOYSA-N
XLogP2.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
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 N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 61230649) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CC3CCC(C2)N3)nc2sccn12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WZYIJSJEKJJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-17(19)11-10(15-12-16(11)3-4-20-12)14-9-5-7-1-2-8(6-9)13-7/h3-4,7-9,13-14H,1-2,5-6H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 293.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 61230649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).