6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole

C15H8FIN2S — CID 54581540

IUPAC6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESFc1ccc2c(c1)sc1nc(-c3ccc(I)cc3)cn12
InChIInChI=1S/C15H8FIN2S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H
InChIKeyCTGRQWBIKOBQOH-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.96
Rot. Bonds1

About 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole

6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 54581540) has the molecular formula C15H8FIN2S and a molecular weight of 394.21 g/mol. Its IUPAC name is 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID54581540
Molecular FormulaC15H8FIN2S
Molecular Weight394.21 g/mol
Exact Mass393.94
IUPAC Name6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESFc1ccc2c(c1)sc1nc(-c3ccc(I)cc3)cn12
InChIInChI=1S/C15H8FIN2S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H
InChIKeyCTGRQWBIKOBQOH-UHFFFAOYSA-N
XLogP4.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 54581540) is 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole is Fc1ccc2c(c1)sc1nc(-c3ccc(I)cc3)cn12.
What is the InChIKey of 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is CTGRQWBIKOBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FIN2S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H.
What are the key properties of 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole?
6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 394.21 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 54581540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).