6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole

C9H10BrN3O3S — CID 63205151

IUPAC6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCOCC(Br)Cc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O3S/c1-16-5-6(10)4-7-8(13(14)15)12-2-3-17-9(12)11-7/h2-3,6H,4-5H2,1H3
InChIKeyNFBXYTJTHQXGBF-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.26
Rot. Bonds5

About 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole

6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 63205151) has the molecular formula C9H10BrN3O3S and a molecular weight of 320.17 g/mol. Its IUPAC name is 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID63205151
Molecular FormulaC9H10BrN3O3S
Molecular Weight320.17 g/mol
Exact Mass318.96
IUPAC Name6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCOCC(Br)Cc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O3S/c1-16-5-6(10)4-7-8(13(14)15)12-2-3-17-9(12)11-7/h2-3,6H,4-5H2,1H3
InChIKeyNFBXYTJTHQXGBF-UHFFFAOYSA-N
XLogP2.26
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole (CID 63205151) is 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole is COCC(Br)Cc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is NFBXYTJTHQXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3S/c1-16-5-6(10)4-7-8(13(14)15)12-2-3-17-9(12)11-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 320.17 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 63205151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).