5-(2,4-difluorophenyl)-1,2-benzothiazole

C13H7F2NS — CID 67075296

IUPAC5-(2,4-difluorophenyl)-1,2-benzothiazole
SMILESFc1ccc(-c2ccc3sncc3c2)c(F)c1
InChIInChI=1S/C13H7F2NS/c14-10-2-3-11(12(15)6-10)8-1-4-13-9(5-8)7-16-17-13/h1-7H
InChIKeyFTBGCNSQHUVNIT-UHFFFAOYSA-N
MW247.27 g/mol
LogP4.24
Rot. Bonds1

About 5-(2,4-difluorophenyl)-1,2-benzothiazole

5-(2,4-difluorophenyl)-1,2-benzothiazole (PubChem CID 67075296) has the molecular formula C13H7F2NS and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1,2-benzothiazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1,2-benzothiazole
PubChem CID67075296
Molecular FormulaC13H7F2NS
Molecular Weight247.27 g/mol
Exact Mass247.03
IUPAC Name5-(2,4-difluorophenyl)-1,2-benzothiazole
SMILESFc1ccc(-c2ccc3sncc3c2)c(F)c1
InChIInChI=1S/C13H7F2NS/c14-10-2-3-11(12(15)6-10)8-1-4-13-9(5-8)7-16-17-13/h1-7H
InChIKeyFTBGCNSQHUVNIT-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1,2-benzothiazole?
The IUPAC name of 5-(2,4-difluorophenyl)-1,2-benzothiazole (CID 67075296) is 5-(2,4-difluorophenyl)-1,2-benzothiazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1,2-benzothiazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-1,2-benzothiazole is Fc1ccc(-c2ccc3sncc3c2)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-1,2-benzothiazole?
The InChIKey is FTBGCNSQHUVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NS/c14-10-2-3-11(12(15)6-10)8-1-4-13-9(5-8)7-16-17-13/h1-7H.
What are the key properties of 5-(2,4-difluorophenyl)-1,2-benzothiazole?
5-(2,4-difluorophenyl)-1,2-benzothiazole has a molecular weight of 247.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1,2-benzothiazole is sourced from PubChem (CID 67075296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).