6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole

C6H5N3O2S — CID 46881130

IUPAC6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O2S/c1-4-5(9(10)11)8-2-3-12-6(8)7-4/h2-3H,1H3
InChIKeyUNLLIFOCJJPKKK-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.61
Rot. Bonds1

About 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole

6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 46881130) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID46881130
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O2S/c1-4-5(9(10)11)8-2-3-12-6(8)7-4/h2-3H,1H3
InChIKeyUNLLIFOCJJPKKK-UHFFFAOYSA-N
XLogP1.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole (CID 46881130) is 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is UNLLIFOCJJPKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c1-4-5(9(10)11)8-2-3-12-6(8)7-4/h2-3H,1H3.
What are the key properties of 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole?
6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 183.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 46881130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).