6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole

C13H5Cl3FNS — CID 50850082

IUPAC6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
SMILESFc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C13H5Cl3FNS/c14-8-3-6(4-9(15)12(8)16)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H
InChIKeyZAHJKCBFFDBVKA-UHFFFAOYSA-N
MW332.61 g/mol
LogP6.06
Rot. Bonds1

About 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole

6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole (PubChem CID 50850082) has the molecular formula C13H5Cl3FNS and a molecular weight of 332.61 g/mol. Its IUPAC name is 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
PubChem CID50850082
Molecular FormulaC13H5Cl3FNS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC Name6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
SMILESFc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C13H5Cl3FNS/c14-8-3-6(4-9(15)12(8)16)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H
InChIKeyZAHJKCBFFDBVKA-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.61
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2,6-dichloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 82830356
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
CID 114103523
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 50849830
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
2-[4-[2-(4-chlorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 155811236

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole (CID 50850082) is 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole is Fc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)sc2c1.
What is the InChIKey of 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole?
The InChIKey is ZAHJKCBFFDBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3FNS/c14-8-3-6(4-9(15)12(8)16)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H.
What are the key properties of 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole?
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole has a molecular weight of 332.61 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole is sourced from PubChem (CID 50850082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).