6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole

C13H7FN2O2S — CID 10588362

IUPAC6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
SMILESO=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C13H7FN2O2S/c14-9-3-6-11-12(7-9)19-13(15-11)8-1-4-10(5-2-8)16(17)18/h1-7H
InChIKeyUYFDMHRGUWCUHK-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.01
Rot. Bonds2

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

6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole (PubChem CID 10588362) has the molecular formula C13H7FN2O2S and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
PubChem CID10588362
Molecular FormulaC13H7FN2O2S
Molecular Weight274.28 g/mol
Exact Mass274.02
IUPAC Name6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
SMILESO=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C13H7FN2O2S/c14-9-3-6-11-12(7-9)19-13(15-11)8-1-4-10(5-2-8)16(17)18/h1-7H
InChIKeyUYFDMHRGUWCUHK-UHFFFAOYSA-N
XLogP4.01
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-fluoro-2-(4-nitrophenyl)-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

6-fluoro-2-(3-methyl-5-nitrophenyl)-1,3-benzothiazole
CID 155931260
6-methyl-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 58342056
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-nitrophenyl)-1,3-benzothiazole
CID 46232051
tributyl-[2-(4-nitrophenyl)-1,3-benzothiazol-6-yl]stannane
CID 67417028
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-[4-[5-(3,4-dinitrophenyl)imidazol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 118085020
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-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole (CID 10588362) is 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole is O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole?
The InChIKey is UYFDMHRGUWCUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2S/c14-9-3-6-11-12(7-9)19-13(15-11)8-1-4-10(5-2-8)16(17)18/h1-7H.
What are the key properties of 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole?
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole has a molecular weight of 274.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole is sourced from PubChem (CID 10588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).