2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole

C13H6Cl2FNS — CID 50850016

IUPAC2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C13H6Cl2FNS/c14-8-3-7(4-9(15)5-8)13-17-11-2-1-10(16)6-12(11)18-13/h1-6H
InChIKeyULAOJFXYESOXHE-UHFFFAOYSA-N
MW298.17 g/mol
LogP5.41
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole

2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole (PubChem CID 50850016) has the molecular formula C13H6Cl2FNS and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
PubChem CID50850016
Molecular FormulaC13H6Cl2FNS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C13H6Cl2FNS/c14-8-3-7(4-9(15)5-8)13-17-11-2-1-10(16)6-12(11)18-13/h1-6H
InChIKeyULAOJFXYESOXHE-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.17
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole (CID 50850016) is 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole is Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole?
The InChIKey is ULAOJFXYESOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FNS/c14-8-3-7(4-9(15)5-8)13-17-11-2-1-10(16)6-12(11)18-13/h1-6H.
What are the key properties of 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole?
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole has a molecular weight of 298.17 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 50850016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).