5-fluoro-3-phenyl-1,2-benzothiazole

C13H8FNS — CID 132566226

IUPAC5-fluoro-3-phenyl-1,2-benzothiazole
SMILESFc1ccc2snc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8FNS/c14-10-6-7-12-11(8-10)13(15-16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyIFEPACKPOOVGRC-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.10
Rot. Bonds1

About 5-fluoro-3-phenyl-1,2-benzothiazole

5-fluoro-3-phenyl-1,2-benzothiazole (PubChem CID 132566226) has the molecular formula C13H8FNS and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-fluoro-3-phenyl-1,2-benzothiazole.

Molecular Properties

Compound Name5-fluoro-3-phenyl-1,2-benzothiazole
PubChem CID132566226
Molecular FormulaC13H8FNS
Molecular Weight229.28 g/mol
Exact Mass229.04
IUPAC Name5-fluoro-3-phenyl-1,2-benzothiazole
SMILESFc1ccc2snc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8FNS/c14-10-6-7-12-11(8-10)13(15-16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyIFEPACKPOOVGRC-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isothiazole
CID 10088400
1,2-Benzisothiazole, 3-methyl-
CID 80321
1,2-Benzothiazole-3-carbonitrile
CID 13571137
1,2-Benzisothiazole-3-acetonitrile
CID 821891
3-(Bromomethyl)-1,2-benzothiazole
CID 10609370
3-Methylnaphtho[2,1-d]isothiazole
CID 773815
3-Phenyl-1,2-benzisothiazole
CID 337917
N,N-Dimethylamino-3-phenyl-3-(1,2-benzisothiazol-3-yl)propylamine
CID 158572
3-[4-(Trifluoromethyl)phenyl]-1,2-benzothiazole
CID 76546011
3-Fluoro-1,2-benzothiazole
CID 129816468
3,5-Diphenyl-1,2-thiazole
CID 12234748
2-(1,2-Benzothiazol-3-yl)ethan-1-amine
CID 10375969

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-phenyl-1,2-benzothiazole?
The IUPAC name of 5-fluoro-3-phenyl-1,2-benzothiazole (CID 132566226) is 5-fluoro-3-phenyl-1,2-benzothiazole.
What is the SMILES notation for 5-fluoro-3-phenyl-1,2-benzothiazole?
The canonical SMILES for 5-fluoro-3-phenyl-1,2-benzothiazole is Fc1ccc2snc(-c3ccccc3)c2c1.
What is the InChIKey of 5-fluoro-3-phenyl-1,2-benzothiazole?
The InChIKey is IFEPACKPOOVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS/c14-10-6-7-12-11(8-10)13(15-16-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-fluoro-3-phenyl-1,2-benzothiazole?
5-fluoro-3-phenyl-1,2-benzothiazole has a molecular weight of 229.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenyl-1,2-benzothiazole is sourced from PubChem (CID 132566226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).