2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole

C15H9N3O2S — CID 1477847

IUPAC2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESO=[N+]([O-])c1cccc(-c2cn3c(n2)sc2ccccc23)c1
InChIInChI=1S/C15H9N3O2S/c19-18(20)11-5-3-4-10(8-11)12-9-17-13-6-1-2-7-14(13)21-15(17)16-12/h1-9H
InChIKeyWUTCLFXGLBVBRQ-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.12
Rot. Bonds2

About 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole

2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 1477847) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID1477847
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESO=[N+]([O-])c1cccc(-c2cn3c(n2)sc2ccccc23)c1
InChIInChI=1S/C15H9N3O2S/c19-18(20)11-5-3-4-10(8-11)12-9-17-13-6-1-2-7-14(13)21-15(17)16-12/h1-9H
InChIKeyWUTCLFXGLBVBRQ-UHFFFAOYSA-N
XLogP4.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.12
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 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 1477847) is 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole is O=[N+]([O-])c1cccc(-c2cn3c(n2)sc2ccccc23)c1.
What is the InChIKey of 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WUTCLFXGLBVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-18(20)11-5-3-4-10(8-11)12-9-17-13-6-1-2-7-14(13)21-15(17)16-12/h1-9H.
What are the key properties of 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 295.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 1477847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).