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

C13H11N3O3S — CID 63201214

IUPAC2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
SMILESO=[N+]([O-])c1c(CC(O)c2ccccc2)nc2sccn12
InChIInChI=1S/C13H11N3O3S/c17-11(9-4-2-1-3-5-9)8-10-12(16(18)19)15-6-7-20-13(15)14-10/h1-7,11,17H,8H2
InChIKeyCAVDQTFGWSPJQC-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.58
Rot. Bonds4

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

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol (PubChem CID 63201214) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
PubChem CID63201214
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
SMILESO=[N+]([O-])c1c(CC(O)c2ccccc2)nc2sccn12
InChIInChI=1S/C13H11N3O3S/c17-11(9-4-2-1-3-5-9)8-10-12(16(18)19)15-6-7-20-13(15)14-10/h1-7,11,17H,8H2
InChIKeyCAVDQTFGWSPJQC-UHFFFAOYSA-N
XLogP2.58
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol?
The IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol (CID 63201214) is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol.
What is the SMILES notation for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol?
The canonical SMILES for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol is O=[N+]([O-])c1c(CC(O)c2ccccc2)nc2sccn12.
What is the InChIKey of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol?
The InChIKey is CAVDQTFGWSPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(9-4-2-1-3-5-9)8-10-12(16(18)19)15-6-7-20-13(15)14-10/h1-7,11,17H,8H2.
What are the key properties of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol?
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol has a molecular weight of 289.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol is sourced from PubChem (CID 63201214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).