2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine

C10H10N6O2S — CID 55071962

IUPAC2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1-c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2S/c11-2-1-7-12-3-4-14(7)8-9(16(17)18)15-5-6-19-10(15)13-8/h3-6H,1-2,11H2
InChIKeyUSRWJJZEKHZLPY-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.99
Rot. Bonds4

About 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine

2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine (PubChem CID 55071962) has the molecular formula C10H10N6O2S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine
PubChem CID55071962
Molecular FormulaC10H10N6O2S
Molecular Weight278.30 g/mol
Exact Mass278.06
IUPAC Name2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1-c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2S/c11-2-1-7-12-3-4-14(7)8-9(16(17)18)15-5-6-19-10(15)13-8/h3-6H,1-2,11H2
InChIKeyUSRWJJZEKHZLPY-UHFFFAOYSA-N
XLogP0.99
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.99
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 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine (CID 55071962) is 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine is NCCc1nccn1-c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine?
The InChIKey is USRWJJZEKHZLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S/c11-2-1-7-12-3-4-14(7)8-9(16(17)18)15-5-6-19-10(15)13-8/h3-6H,1-2,11H2.
What are the key properties of 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine?
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine has a molecular weight of 278.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 55071962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).